NMR and Other Spectra

  • The NMR Information Server
    Links to NMR information on the WWW
  • NMRShiftDB
    NMRShiftDB v 1.0 is an open access, open submission, open source NMR database that allows for searching for (sub-)spectra, (sub-)structures and other properties (chemical names, measurement conditions, keywords), and last not least 13C spectrum prediction based on the database content. Currently, the database contains about 5300 structures and about 6000 assigned spectra. The software and database content can be downloaded via http://www.sourceforge.net/projects/nmrshiftdb.
  • A Searchable NMR Database (SBDS)
    Integrated Spectral Data Base System for Organic Compounds. Provided by The National Institute of Advanced Industrial Science and Technology, Tsukuba, Ibaraki, Japan
  • NIST Webbook - contains IR spectra for over 5000 compounds, mass spectra for over 10,000 compounds, electronic / vibrational spectra for over 2000 compounds, constants of diatomic molecules (spectroscopic data) for over 600 compounds, Ion energetics data for over 14,000 compounds, and thermophysical property data for 16 fluids
  • SigmaAldrich Online Catalog
    Sigma Aldrich freely offers FT-NMR and FT-IR Raman spectra for many chemicals via their online catalog, which is searchable by name, CAS number, Product number, molecular formula, etc. The spectra are downloadable as PDF files. (Use of this site may require a free registration process.)
  • Spectral Database for Organic Compounds SDBS, SDBS is an integrated spectral database system for organic compounds,which includes 6 different types of spectra under a directory of the compounds.
  • SUGABASE, carbohydrate NMR database
    SUGABASE is a carbohydrate-NMR database that combines CarbBank Complex Carbohydrate Structure Data (CCSD) with proton and carbon chemical shift values.
  • SPECARB, Raman spectra of carbohydrates
    SPECARB is an experimental database containing Raman spectra of carbohydrates. It is intended to contain solid state Raman spectra of carbohydrates from the monomers and their derivatives to complex polysaccharides.
  • EUROSPEC, International Spectroscopic Database
    An EU fundedelectronic database and archive for spectroscopic and other associated data from peer-reviewed publications, other scientific literature and data submitted by individual.
  • GC-EIMS of Partially Methylated Alditol Acetates
    Electron-impact Mass Spectra of partially methylated alditol acetates.
  • WebSpectra (NMR and IR)
    This site provides 1H NMR and 13C NMR, DEPT, COSY and IR spectra of various compounds for students to interpret.