Online Resources
Licensed databases
- Reaxys This link opens in a new window
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References to literature reports of NMR, IR, MS, Raman, UV/VIS and other spectral data are often included in the compound record - SciFinder-n This link opens in a new window
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References and/or spectra images of NMR, IR, Raman, MS, UV/VIS may be included in the "Experimental Properties" portion of the CAS Registry record for the substance
Freely accessible resources
- NIST Chemistry WebBookThe database currently consists mostly of organic compounds along with a few small inorganic compounds. Species are only included in the database if there are data for them.
- PubChem Classification BrowserTo locate all records containing a particular type of spectral information, find the Spectral Information node under the "Browse PubChem: PubChem Compound TOC Tree".
- BMBR - Biological Magnetic Resonance BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
- Mineral Spectroscopy Server (Caltech)Provides access to data on Mineral Absorption Spectra in the visible and infrared regions of the spectrum and Raman spectra of minerals; visible, near-infrared and infrared absorption spectra are available for a number of minerals.
- RRUFF ProjectThe RRUFF™ Project aims to develop a database of reference spectra for use as an identification tool on minerals and gems. A mineral sample page includes photos of the sample, collected Raman spectra, infrared spectrum, powder diffraction patterns, and measured chemistry in addition to information on the sample's origin and reference material on the mineral.
- Spectral Database for Organic Compounds (SDBS)SDBS is an integrated spectral database system for organic compounds, which includes 6 different types of spectra (EI-MS, FT-IR, 1H NMR, 13C NMR, laser Raman, and ESR).
- SpectreBaseSpectraBase is a free online database of IR, NMR, Raman, UV, and mass spectra. Sign up for free account to view full size spectra and details.