AIST NMR Library

Technique: NMR Spectral Databases

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From the Leader in Spectral Data

NMR Spectral Database for Prediction & Identification

The AIST NMR Library is a world-class, comprehensive collection of NMR spectra sourced from the National Institute of Advanced Industrial Science and Technology (AIST) and NMRDBTech, Inc.

This spectral library provides access to over 25,000 spectral records of pure organic compounds that can be used to identify or predict* NMR spectra.

  • CNMR & HNMR spectra of organic compounds covering a broad range of compounds
  • Along with spectra, records contain physical properties and structures when available
  • Data carefully reviewed by Wiley spectroscopy experts to ensure it meets quality standards
  • Includes KnowItAll ID Expert software for one-click basic spectral searches
  • 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 spectral databases:

  • 13C NMR – AIST SDBS – 11,890 spectra
  • 1H NMR – AIST SDBS (90 MHz) – 4,380 spectra
  • 1H NMR – AIST SDBS (300 MHz) – 2,930 spectra
  • 1H NMR – AIST SDBS (400 MHz) – 6,457 spectra

Additional Information

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 Names
  • Chemical Structures
  • CAS Registry Numbers
  • InChIs and InChIKeys
  • Instrument Names
  • Molecular Formulas
  • Molecular Weights
  • NMR Spectrometer Frequencies
  • NMR Solvents
  • SDBS Numbers (Spectral Database for Organic Compounds)

Ordering Information

Product CodeProduct
978EALDB04379AIST NMR Library (Annual Subscription)
978EALDB04362AIST NMR Library (Renewal)


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