Search by substance to bring up the (CAS Registry) record, look for the Experimental Spectra list. A "See Spectrum" link means the spectrum is available. Otherwise you will be directed to an article where you'll find the spectrum and/or numeric data.
Literature references for spectra for many of the 32 million substances indexed.
From the substance record, select Spectra for NMR, IR, Mass, UV/VIS, Raman, Fluorescence and more.
There are no actual spectra, but you will get references to journal articles where you will find the spectrum and/or numeric information (peaks, shifts, etc).
Free database of hundreds of thousands of spectra, including NMR, IR (including ATR-IR), Raman, UV-Vis, and Mass. Search by chemical name, CAS-RN, or InChiKey. You can upload and overlay your own spectrum for comparison.
Free, but registration is required. Some ads as well.
Free database of millions of chemical substances, with spectral information for about 300K substances (found in the Chemical and Physical Properties section of the substance record).
The data is sourced from several organizations, including SpectraBase, MassBank of North America, NIST Mass Spectrometry Data Center, and NMRShiftDB, the NIST/EPA/NIH Mass Spectral Library, the Hazardous Substances Data Bank (HSDB), and the Human Metabolome Database (HMDB).
Spectra for 34,600 organic compounds, mostly FT-IR (54K), MS (25K), 13C-NMR (14K), and H-NMR (16K), and Raman (3.5K). Good for an initial quick search.
Free database of NMR spectra, structures and properties of organic compounds. Also allows for spectrum prediction and submission of NMR shift datasets for peer review.
