Library Guides: Chemistry & Biochemistry (SUBJECT GUIDE): Spectra

Databases

SciFinderⁿ (CAS)
Experimental spectra: 1.4 million (for 983,000 substances). Predicted spectra: 108.7 million 13C-NMR and 108.7 million 1H-NMR
Reaxys (Elsevier)
Extensive database can be used to locate and access journal articles where spectra (including NMR, IR, UV-Vis, MS, and Raman) were reported and published.

Aldrich FT-NMR Library with Spectral Viewer
The Aldrich FT-NMR Library with Spectral Viewer is an electronic book that contains high-resolution 300MHz 1H and 75MHz 13C spectra for the more than 11,800 compounds found in the printed version of The Aldrich Library of 13C and 1H FT-NMR Spectra. Available on all four Public Access computers in the Reference area of the library.

NIST Chemistry WebBook
(https://webbook.nist.gov/chemistry/)
Includes collections of IR spectra, THz infrared spectra, and UV/Vis spectra
NIST Mass Spectrometry Data Center
(https://chemdata.nist.gov)
Includes: Mass spectral library and other tools; Peptide library; Standard Reference Material/Data (SRM/D)
WebSpectra: Problems in NMR and IR Spectroscopy
(Cambridge Isotope Laboratories and the UCLA Department of Chemistry and Biochemistry)
Site provides 1H NMR and 13C NMR, DEPT, COSY and IR spectra of various compounds for students to interpret
Madison-Qingdao Metabolomics Consortium Database (MMCD)
National Magnetic Resonance Facility at Madison (NMRFAM).
Includes NMR Standard Data Downloads (click on the Download tab)
Spectral Database for Organic Compounds, SDBS
National Institute of Advanced Industrial Science and Technology (AIST), Japan.
As of 2015, for about 34,600 compounds, included 25,000 MS, 15,900 1H NMR, 14,200 13C NMR, 54,100 FT-IR, 3,500 Raman, and 2,000 ESR spectra.
Biological Magnetic Resonance Bank (BMRB)
A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
nmrdb.org: Tools for NMR spectroscopists
École polytechnique fédérale de Lausanne (EPFL)
Predict 13C as well as 1H spectra.
CHEM 605: Spectrochemical Measurements
UW Madison course materials by Hans J. Reich
Includes Proton Chemical Shifts, C-13 Chemical Shifts, and much more.