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Recommended Web Sites for Spectra and Spectrum-related Information

Recommended Web Sites for Spectra and
Spectrum-related Information

This site includes information on a wide range of spectroscopy topics, including NMR, IR, UV and mass spec. Access to some features, such as the online e-zine Spectral Lines, requires (no-cost) registration. This site includes discussion forums and links to other spectroscopy-related websites, including online databases of spectral data.

NIST Atomic Spectra Database    http://www.nist.gov/pml/data/asd.cfm
This site can be searched by "lines" (Spectral lines and associated energy levels) or "levels" (energy levels), and also includes a table of ground states and ionization energies for neutral atoms. [Produced by the National Institute of Standards and Technology (NIST)].

NIST Chemistry WebBook   http://webbook.nist.gov/chemistry/ [scroll down to "Documentation"]
Includes IR, mass spec, and UV spectra for thousands of compounds.

Integrated Spectral Data Base System for Organic Compounds http://riodb01.ibase.aist.go.jp/sdbs/cgi-bin/cre_index.cgi?lang=eng
Maintained by the Japanese National Institute of Advanced Industrial Science and Technology, this database includes NMR, IR, and MS data for tens of thousands of compounds. Access is free. The providers request that users not download more than 50 files per day, and that you acknowledge them if any data are used in a publication or presentation.

Produced by Thermo Scientific, this is a free web-based spectral database service for the chemical research community. It includes spectral data from many different instrument types including FT-IR, UV-Vis, NIR, Raman, MS, NMR (13C, 1H and others), XRD, and more. The site also includes a link to a fee-based database of FT-IR spectra produced by Thermo Scientific.

13-C Chemistry Shift Calculation, http://www.chem.uni-potsdam.de/tools/ 
BioMagResBank, http://www.bmrb.wisc.edu 
FTIRsearch, http://ftirsearch.com   A subscription database  Contact: support(at)ftirsearch.com 
Infrared Spectroscopy for Organic Chemists, http://www.dq.fct.unl.pt/qoa/jas/ir.html 
Mass Spectrometry on the Internet, http://base-peak.wiley.com 
NIST Physics Laboratory, http://physics.nist.gov/PhysRefData/ 
NMR Services Solution and Solid State, http://www.chem.utoronto.ca/facilities/nmr/nmrlinks.html 
NMR Spectroscopy, http://netaccess.on.ca/~dbc/cic_hamilton/nmr.html 
Spectra Online, http://www.galactic.com/SpcOnline.htm 
Spektroscopy online, http://www.chem.uni-potsdam.de/tools/ Contact: steffen(at)sthomas.de

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