Sigma-Aldrich Library of NMR Spectra

Technique: NMR Spectral Databases

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From the Leader in Spectral Data

High-Quality NMR Spectral Library Collection for Prediction & Identification

The Sigma-Aldrich Library of NMR Spectra is a world-class, comprehensive collection of NMR spectra sourced from the laboratories of Sigma-Aldrich by Merck KGaA Darmstadt, Germany.

This NMR spectral database provides access to over 26,000 spectral records of organic compounds that can be used to identify or predict* NMR spectra. This collection also includes the Sigma-Aldrich catalog number, ensuring quick and accurate ordering of standards from Sigma-Aldrich.

  • CNMR & HNMR spectra of organic compounds covering a broad range of compounds
  • Along with spectra, records contain physical properties and structures when available
  • Data reviewed by Wiley spectral data experts to ensure it meets quality standards
  • Includes KnowItAll ID Expert software for one-click basic spectral searches; KnowItAll Analytical Edition recommended
  • Import spectra from most major NMR instruments

*Prediction and advanced analysis requires the KnowItAll Analytical Edition (recommended)

Databases Included

Subscription provides access to the following NMR spectral libraries:

  • 13C NMR (75 MHz) – Sigma-Aldrich Library of 13C NMR Spectra – 13,265 spectra
  • 1H NMR (300 MHz) – Sigma-Aldrich Library of 1H NMR Spectra – 13,164 spectra

These two databases are complementary as they contain spectra for 13,153 overlapping Sigma-Aldrich Catalog Numbers

Additional Information (Metadata)

When it comes to spectral analysis, the more data you have the better. This database provides much more information than simply the spectrum. Records include the following valuable details when available:

  • Chemical Name
  • Chemical Structure
  • Sigma-Aldrich Catalog Numbers
  • CAS Registry Numbers
  • InChIs and InChIKeys
  • Molecular Formulas
  • Molecular Weights
  • NMR Spectrometer Frequencies
  • NMR Solvents
  • Purities
  • Synonyms

Ordering Information

Product CodeProduct
978EALDB04355 Sigma Aldrich NMR Library (Annual Subscription)
978EALDB04348Sigma Aldrich NMR Library (Renewal)


  • Subscription includes KnowItAll ID Expert software for one-click basic spectral search
  • Recommended: KnowItAll Analytical Edition (for advances analysis and prediction)
  • KnowItAll software is compatible with most major instrument formats. See supported KnowItAll file formats