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Chemistry, Biochemistry, and Chemical & Biological Engineering Reference Guide: Spectra

This Guide contains Chemistry and Chemical & Biological Engineering resources and information. Links below provide a starting place for your research project.

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Vincent Scalfani
Science and Engineering Librarian

109 Rodgers Library



Sources of Spectra Data

SDBS, Spectral Database for Organic Compounds

Contains thousands of NMR, IR, Raman, MS, and ESR spectra searchable via compound name, molecular formula, molecular weight, and CAS Registry number.

Dictionary of Organic Compounds and Properties of Organic Compounds

Available online through CHEMnetBASE. Contains reference sources with IR, NMR, Raman, Mass spectrometry, and UV-vis data.

NIST Chemistry WebBook

Searchable IR, Mass Spectrometry, and UV-vis spectra.


Start with Explore Substances search, where spectra can be located by searching a chemical structure, molecular formula, and substance identifier.  If you can not find what you are looking for, try an Explore References search with a natural language phrase. For example, “FTIR spectrum of epoxidized polybutadiene.” Property data and spectra include both experimental (where available) and predicted. The primary literature references where experimental values have been extracted from are noted.

University at Buffalo Libraries Guide to Finding Spectra and Spectral Data

Comprehensive list of spectra data resources.