Structural Elucidation
Chromatogen Analytical Laboratory provides high-precision structural elucidation services to definitively characterize unknown organic compounds, active pharmaceutical ingredients (APIs), degradants, and process-related impurities. Leveraging our state-of-the-art analytical infrastructure in Mysuru—including high-field NMR, HRMS, and GC-MS—our senior spectroscopic experts deliver absolute molecular structure confirmation required for critical R&D decisions and regulatory submissions.
Orthogonal Spectroscopic Platforms
Definitive structural characterization requires an integrated, multi-technique approach. We combine data across complementary analytical platforms to eliminate ambiguity in connectivity, stereochemistry, and empirical formula.
1. Nuclear Magnetic Resonance (NMR) Spectroscopy
1D NMR Analysis: $^1\text{H}$, $^{13}\text{C}$, $^{19}\text{F}$, $^{31}\text{P}$, and heteroatom NMR for fundamental backbone assignment and chemical shift mapping.
2D Homonuclear & Heteronuclear NMR: Advanced 2D experiments including COSY, HSQC, HMBC, and NOESY/ROESY to determine complex spatial relationships, long-range couplings, and regiochemistry.
Conformational & Isomeric Characterization: Verification of relative stereochemistry and distinction between geometric/structural isomers.
2. High-Resolution Mass Spectrometry (HRMS) & MS/MS
Exact Mass & Elemental Composition: Sub-ppm mass accuracy for accurate empirical formula determination of unknown target molecules.
Tandem Mass Spectrometry ($\text{MS}^n$): Systematic fragmentation patterning to map sub-structural moieties, cleavage sites, and functional groups.
3. Complementary Spectroscopic Profiling
FTIR Spectroscopy: Identification of characteristic functional group vibrations and hydrogen bonding networks.
UV-Vis Spectrophotometry: Evaluation of chromophores and conjugated electronic systems.
Specialized Applications
Our structural elucidation capabilities are tailored to solve complex characterization challenges across the chemical and pharmaceutical lifecycles:
Unknown Impurity Profiling: Full characterization of unknown organic impurities present above the $0.1\%$ threshold (or regulatory reporting thresholds for genotoxic species).
Forced Degradation Product Characterization: Identification of degradants generated under thermal, photolytic, oxidative, hydrolytic, and photolytic stress conditions.
Novel API & Intermediates Characterization: Complete spectral data packages ($^1\text{H}$, $^{13}\text{C}$ NMR, HRMS, FTIR, UV) for key starting materials, novel synthetic targets, and reference standards.
Extractables & Leachables (E&L): Structure determination of volatile, semi-volatile, and non-volatile organic leachables from packaging materials.
The Chromatogen Advantage
Every structural elucidation project at Chromatogen concludes with a comprehensive, regulatory-ready characterization report:
Spectral Data Overlay: High-resolution, fully annotated $^1\text{H}$, $^{13}\text{C}$, 2D NMR, HRMS, and FTIR spectra.
Fragment & Peak Assignments: Tabulated data linking observed chemical shifts, coupling constants ($J$-values), and mass fragments directly to proposed molecular structures.
Definitive Structure Justification: A detailed scientific narrative explaining the logical deduction process and confirming the proposed chemical layout without structural ambiguity.
The Chromatogen Advantage
Absolute Molecular Certainty. Regulatory Confidence.
At Chromatogen, we turn complex spectroscopic signals into definitive chemical answers. Our integrated NMR and HRMS capabilities ensure your unknown compounds are fully characterized to meet stringent regulatory standards.