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Largest online collection of spectra available for UCSD: 1.4 million experimental (mostly MS, IR, 13C-NMR, H-NMR) spectra for 983K compounds, and 109 million predicted H-NMR and 13C-NMR spectra.
Use the "Substance Identifier" option to search for your chemical, then from the substance (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. First-time users will need to register for a SciFinder account.
Hundreds of thousands of spectra, including NMR, 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.]
Open 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, primarily SpectraBase, the NIST/EPA/NIH Mass Spectral Library, the Hazardous Substances Data Bank (HSDB), and the Human Metabolome Database (HMDB).
Property data and numerical NMR, MS, UV and IR peaks for 29,000 organic compounds, with references to the handbooks where the spectra can be located. No actual spectra, but you can get NMR chemical shifts, mass spectral peaks and intensities, and peak values for IR, Raman, and UV/Vis.