2025 Pharma Trends: Structure elucidation services by NMR

Introduction

In 2025, the pharmaceutical industry is changing quickly, and one trend that is taking over the research and development field is NMR’s growing investment in structure elucidation services. As the pharmaceutical industry works hard to make medications that are safer and more effective, technologies like NMR spectroscopy for drug discovery have become essential.

Our NMR structure elucidation capabilities aids pharmaceutical companies make decisions based on data, reduce R&D costs, and get life-saving pharmaceuticals to market faster. This article talks about why structure elucidation by NMR is becoming an important tool for the pharmaceutical industry and how ResolveMass is a good example of this new era of precise research.

What is Structure Elucidation by NMR?

Nuclear Magnetic Resonance (NMR) is a strong method for figuring out the precise molecular structure of a molecule. NMR provides in-depth insights into molecular conformation, functional groups, stereochemistry, and dynamics—attributes that are vital during drug development.

Molecular structure determination is a central theme of organic and analytical chemistry. Structure elucidation is the process of determining the chemical structure of a compound. For organic compounds, it will often involve the use of nuclear magnetic resonance spectroscopy (NMR spectroscopy).

How It Works

When a compound is placed in a strong magnetic field and exposed to radiofrequency pulses, certain atomic nuclei—most commonly ¹H (proton) and ¹³C (carbon-13)—absorb energy and resonate at characteristic frequencies. These resonances are captured as chemical shifts in an NMR spectrum.

The chemical shift, splitting patterns (J-coupling), and integration values in ¹H and ¹³C NMR provide detailed information about:

The number of hydrogen or carbon environments
Electronics around the atoms (shielding/deshielding effects)
Neighboring atoms and bond connectivity
Stereochemistry and conformational details

Types of NMR Used in Structure Elucidation

1D NMR (One-Dimensional):

¹H NMR: Reveals the type and number of hydrogen atoms in different environments.
¹³C NMR: Shows distinct carbon environments; especially useful with DEPT editing.

2D NMR (Two-Dimensional):

COSY (Correlation Spectroscopy): Detects spin-spin interactions between protons
HSQC/HMQC (Heteronuclear Single/Multiple Quantum Coherence): correlation between ¹H and directly bound ¹³C atoms.
HMBC (Heteronuclear Multiple Bond Correlation): Long-range proton–carbon couplings that are two to three bonds apart can be detected using HMBC.
NOESY/ROESY (Nuclear Overhauser Effect): Gives information about spatial proximity between atoms, helping determine 3D configuration.

Applications of NMR Structure Elucidation

Pharmaceutical R&D: Identification and confirmation of Active Pharmaceutical Ingredients (APIs) and impurities.
Natural Product Chemistry: Structure determination of unknown bioactive molecules.
Polymer Science: Characterization of monomer units, branching, and molecular weight distribution.
Food & Nutraceuticals: Authentication and quality control of functional compounds.
Academic Research: Publication-grade compound verification and molecular modeling.

Advantages of Using NMR for Structure Elucidation

No need for crystallization, unlike X-ray crystallography
Non-destructive analysis (sample remains intact)
Detailed structural and conformational insight
Quantitative and qualitative data
Applicable to mixtures and complex matrices

Why Pharma Uses NMR Spectroscopy: 2025 Trends

1. Rising Complexity of Drug Molecules

The new generation of drugs, especially biologics and complex small molecules, demand high-precision analytical methods. NMR-based structural analysis offers the clarity and reproducibility required to ensure molecular accuracy.

2. Regulatory Mandates

Agencies like the FDA and EMA increasingly require extensive structural validation. Outsourcing NMR structure elucidation services to certified labs like ResolveMass ensures compliance and data integrity.

3. Faster Go-to-Market

Speed is the new currency in pharma. By leveraging our optimized structure elucidation services by NMR, clients accelerate the identification and validation process, shrinking development timelines.

The ResolveMass Advantage in NMR Structure Elucidation

At ResolveMass Laboratories Inc., our scientists bring decades of domain-specific experience, ensuring that every analysis meets the highest standards of precision and reliability.

Highlights:

State-of-the-art 600 MHz NMR instrumentation.
Customized services for peptide-based drugs.
Rapid turnaround time with expert interpretation.
GLP-compliant reports suitable for regulatory submissions.

With our deep bench of analytical chemists and advanced workflow pipelines, we’re not just a service provider—we’re a strategic partner.

Case Study: How NMR Elucidation Helped Fast-Track a Cardiovascular Drug

Client: Mid-sized pharma based in Toronto

Project: Structural confirmation of a novel antihypertensive small molecule

Challenge: The internal analytical team had difficulty identifying the stereochemical integrity of a chiral compound critical to the drug’s efficacy.

Solution: ResolveMass employed 2D-NMR (COSY, HSQC, HMBC) and chiral NMR techniques. The precise NMR-based structural analysis revealed a stereochemical inversion at the 4th carbon, which was rectified in subsequent syntheses.

Result:

30% reduction in development time
Successful IND application
cost savings due to early correction

For more on our capabilities, visit our NMR small molecule analysis page.

Quantitative Nuclear Magnetic Resonance (qNMR) Analysis Explained: What It Is and How It Works

Benefits of Outsourcing NMR Structure Elucidation Services

1. Access to Advanced Instrumentation

Advanced labs like ResolveMass Laboratories are equipped with high-field NMR spectrometers (ranging from 400 MHz to 800 MHz) and advanced 2D NMR capabilities. Purchasing and maintaining such equipment in-house is a costly affair, which is why outsourcing allows you to access cutting-edge technology without the burden of a large upfront investment.

2. Expert Interpretation and Reporting

Interpreting NMR data necessitates much experience, particularly when dealing with complicated structures or stereochemistry. By outsourcing, you can be sure that skilled chemists and spectroscopists will evaluate your spectra and produce precise, publishable findings.

3. Faster Turnaround Time

Dedicated NMR service providers prioritize efficiency and accuracy. With a streamlined workflow and focused expertise, they can deliver structural elucidation reports quickly—critical for R&D timelines, patent filing, and regulatory submissions.

4. Cost-Effective and Scalable

Maintaining in-house NMR infrastructure, including equipment, maintenance, consumables, and trained personnel, is expensive. Outsourcing eliminates these fixed costs, converting them into predictable, project-based expenses that scale with your workload.

5. Support for Regulatory and IP Documentation

Outsourced NMR services often include comprehensive data packages that support IND, NDA, or patent filings. This ensures regulatory compliance and strengthens intellectual property protection.

6. Customizable Solutions

Customized structural analysis solutions for every need: simple confirmations, chiral centre assignments, or complete molecular characterization.

NMR Spectroscopy for Drug Discovery: A 2025 Necessity

Whether identifying impurities, confirming molecular identity, or characterizing metabolites, NMR spectroscopy for drug discovery offers unmatched depth and reliability.

We see an increasing number of pharma clients integrating our NMR peptide analysis into their workflows to streamline development cycles and reduce downstream failures.

FAQs: Structure Elucidation Services by NMR

1. How do you ensure data confidentiality and sample safety during NMR analysis?

We follow strict protocols for handling and storing samples to guarantee confidentiality and integrity. Client samples are securely managed, and data is shared through encrypted channels to protect proprietary information.

2. Can NMR detect impurities that LC-MS might miss?

Absolutely. NMR is orthogonal to LC-MS and excels at detecting:

Isomeric impurities (e.g., positional isomers, tautomers)
Non-ionizable compounds that don’t show up in MS
Residual solvents and excipients
Degradation products with similar masses but distinct structural fingerprints

In 2025, many pharma companies are investing in structure elucidation services by NMR to support ICH Q3A/B compliance and avoid regulatory observations related to unknown peaks.

3. How does NMR compare to other analytical techniques like MS or IR?

Feature/Parameter	NMR (Nuclear Magnetic Resonance)	MS (Mass Spectrometry)	IR (Infrared Spectroscopy)
Structural Detail	✅ Full molecular framework, stereochemistry, and dynamics	⚠️ Molecular weight, fragmentation pattern only	⚠️ Functional group identification only
Stereochemistry Resolution	✅ Excellent (e.g., chiral centers, conformers via NOESY/ROESY)	❌ Limited	❌ Not applicable
Quantification	✅ Accurate without external standards	✅ Requires standards or internal calibrants	⚠️ Limited
Impurity Identification	✅ High sensitivity to positional and structural isomers	✅ Sensitive to low-level impurities	⚠️ May not detect low-level or structurally similar
Data Output	✅ 1D & 2D spectra with full atom-level mapping	✅ m/z ratios and fragmentation trees	✅ Absorbance peaks
Solvent Interference	⚠️ Solvents must be deuterated	⚠️ Matrix can affect ionization	✅ Minimal
Use Case	Best for structure elucidation, chiral analysis, and dynamic studies	Ideal for mass confirmation and metabolite ID	Useful for functional groups and fingerprinting

4. What types of drugs benefit from NMR analysis?

Small molecules – for impurity profiling and process validation (Small molecule NMR)
Peptides – to assess conformation and batch consistency (Peptide NMR services)
Natural products – for complex stereochemical resolution
Chiral drugs – For Stereochemistry
Impurities/degradants – NMR complements LC-MS in identifying non-chromophoric or non-ionizable degradants.
Generic APIs – For confirming identity in ANDA filings.

🔬 Speak to an expert to identify the right NMR method for your molecule.

5. How long does a typical NMR analysis take at ResolveMass?

Standard TAT (5–7 business days): Cost-effective option.

Expedited analysis (24–48 hours): Premium pricing due to resource prioritization.

6. Is your NMR service suitable for regulatory submission?

Indeed, ResolveMass Laboratories Inc. offers NMR structure elucidation services that completely satisfy FDA, EMA, ICH, and WHO requirements, among other regulatory submission standards. Strict analytical procedures are followed in our lab to facilitate dossier files, quality assurance, and drug registration.

7. What Are the Costs Involved in Structure Elucidation Services by NMR?

🧪 Type of Sample

Small molecules typically cost less than peptides, oligonucleotides, or complex natural products.

📈 Level of Analysis Required

Basic 1D NMR (¹H, ¹³C) for preliminary structural data is more affordable.
Advanced 2D/3D NMR (COSY, HSQC, HMBC, NOESY) for full structural elucidation or stereochemistry analysis will incur higher charges.

🔁 Number of Samples and Repeat Runs

Single sample runs are billed per sample, depending on complexity.
Bulk projects or ongoing partnerships may qualify for volume discounts or retainer-based pricing.

8. Can you analyse chiral centres and stereochemistry?

surely, we can. NMR is one of the most advanced and powerful techniques when it comes to analysing chiral centres and stereochemistry. we regularly perform advanced 2D and 3D NMR-based structural analysis to determine the spatial configuration of atoms in a molecule — which is necessary for understanding biological activity, efficacy, and regulatory compliance.

We use techniques such as:

NOESY (Nuclear Overhauser Effect Spectroscopy)
ROESY (Rotating-frame Overhauser Effect Spectroscopy)
Chiral derivatizing agents (CDAs)
Diastereotopic proton analysis

9. What is the sample requirement for NMR analysis?

Sample Quantity typical range: 0.1–10 mg of pure compound (depends on molecular weight and instrument sensitivity).
- For routine ¹H NMR (400–500 MHz): ~1–5 mg (for a MW ~300 g/mol).
- For ¹³C NMR or low-sensitivity nuclei (e.g., ¹⁵N): ≥10 mg (due to weaker signal).
- High-sensitivity probes (cryoprobes): Can detect < 0.1 mg (useful for precious samples).

There are also special cases where you may need to provide a larger sample amount.

10. How do I get started with ResolveMass?

Visit our contact page to get a free consultation and quotation for your project.

Conclusion

In 2025, structure elucidation services by NMR are no longer optional—they are essential. Pharma companies looking to enhance R&D efficiency, ensure regulatory compliance, and gain a competitive edge are increasingly turning to partners like ResolveMass Laboratories Inc.

With our deep expertise, cutting-edge instrumentation, and a proven track record, we continue to lead the industry in NMR spectroscopy for drug discovery and NMR-based structural analysis. Whether you’re developing a new peptide therapeutic or a complex small molecule, outsourcing NMR structure elucidation services to ResolveMass can be the smartest investment your team makes this year.

ResolveMass Laboratories Inc.: Comprehensive Scientific Expertise You Can Rely On

ResolveMass Laboratories Inc. is a trusted Canadian contract research organization offering a wide spectrum of specialized services spanning polymer synthesis, advanced analytical testing, and custom organic synthesis. With over a decade of experience supporting pharmaceutical, biotech, and industrial clients, we bring scientific precision and regulatory insight to every project. Our core capabilities include Polymer Synthesis and Characterization, Peptide Characterization, Organic Synthesis, Nitrosamine Testing and Analysis, PFAS Testing, and Extractable & Leachable Studies, as well as a broad suite of analytical techniques such as HPLC, GC-MS, MALDI-TOF, NMR, and FTIR.

Ready to Get Started?

📩 Contact our expert team
📞 Request a quote for method development
📅 Book a consultation with our scientists
🧪 Submit your sample for testing

References

Simmler, C., Napolitano, J. G., McAlpine, J. B., Chen, S.-N., & Pauli, G. F. (2014). Universal quantitative NMR analysis of complex natural samples. Current Opinion in Biotechnology, 25, 51–59. https://doi.org/10.1016/j.copbio.2013.08.003
Tušar, L., Novič, M., Tušar, M., & Zupan, J. (2019). Structural elucidation. In P. Worsfold, C. Poole, A. Townshend, & M. Miró (Eds.), Encyclopedia of Analytical Science (3rd ed., pp. 278–289). Academic Press. https://doi.org/10.1016/B978-0-12-409547-2.10937-0
Bharti, S. K., & Roy, R. (2012). Quantitative 1H NMR spectroscopy. TrAC Trends in Analytical Chemistry, 35, 5–26. https://doi.org/10.1016/j.trac.2012.02.007
Duddeck, H. (2008). Structure elucidation of natural products by NMR spectroscopy. Natural Product Reports, 25(3), 392–416. https://doi.org/10.1039/B703172F

🧭 How Pharma Companies Can Strategically Adopt Structure Elucidation Services by NMR in 2025

With the rising demand for precision-driven drug development, pharma companies in 2025 are rethinking their structural elucidation strategies. Here’s how your organization can stay ahead by smartly leveraging NMR structure elucidation services.

1. Recognize NMR as a Strategic Asset, Not Just an Analytical Tool

Gone are the days when NMR spectroscopy for drug discovery was a backup method. In 2025, leading pharma R&D teams view NMR as a strategic investment, thanks to its ability to:

Identify complex molecular architectures
Validate stereochemistry of APIs and impurities
Ensure regulatory compliance with deep molecular insight

📌 Case in point: A U.S. mid-size pharma firm accelerated its FDA IND approval by 4 months using outsourced structure elucidation services by NMR to detect and resolve a stereo-specific impurity issue early.

2. Evaluate Internal Limitations Before Scaling NMR Capabilities

Building in-house NMR capacity means:

Capital investment of $500K–$1M per NMR machine
Continuous maintenance and calibration costs
Recruitment of highly specialized spectroscopists
Time-intensive method development and validation

Compare that to working with experienced external partners like ResolveMass Laboratories Inc., who offer:

✅ On-demand access to 400–800 MHz NMR
✅ GLP-compliant reports
✅ 24–72 hr turnaround
✅ Experts in peptide and small molecule elucidation

3. Select Specialized NMR Service Providers with Proven Domain Expertise

Don’t settle for general analytical labs. Choose partners who understand:

Drug development timelines
Impurity profiling per ICH guidelines
Process development and tech transfer needs
Interpretation of rare or overlapping NMR signals

🔬 Companies like ResolveMass bring deep scientific experience, method reproducibility, and regulatory insight that go beyond raw data.

4. Integrate NMR Results into Regulatory and Tech Transfer Documentation

A major 2025 trend is the integration of NMR-based structural analysis directly into:

Drug Master Files (DMFs)
Technology transfer dossiers
CPV (Continued Process Verification) packages
Stability studies and impurity justifications

This not only ensures data integrity but also boosts your credibility in audits and global filings.

5. Use NMR for Early Decision Making — Not Just for Final Characterization

2025 leaders use NMR structure elucidation services right from:

Hit-to-lead screening
Intermediate characterization
Impurity deconvolution
Stereochemical optimization

This proactive model reduces risk, cuts rework, and accelerates speed to market — three things every pharma executive prioritizes today.

6. Benchmark Performance Metrics: Cost, Turnaround, and Compliance

Top pharmaceutical firms in 2025 are tracking:

Average NMR outsourcing cost vs in-house overhead
Number of failed batches rescued by NMR-based impurity analysis
Time saved in method transfers due to clarified structures
Audit readiness based on validated NMR reports

✅ Contact ResolveMass to see real client success benchmarks across therapeutic areas.