Sources of Spectra Data
Contains thousands of NMR, IR, Raman, MS, and ESR spectra searchable via compound name, molecular formula, molecular weight, and CAS Registry number.
Available online through CHEMnetBASE. Contains reference sources with IR, NMR, Raman, Mass spectrometry, and UV-vis data.
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.
Comprehensive list of spectra data resources.