Reaxys contains extensive spectral data (NMR Spectroscopy, IR Spectroscopy, Mass Spectrometry, UV/VIS Spectroscopy, and ESR Spectroscopy, and more). Search by name, identifier, structure or substructure.
The three volume set is located at Mudd Library (Reference area). The compounds are arranged by functionality. Extensive data for organic substances, and also IR spectra of inorganic, organometallic, and polymers.