GSU Library Research Guides: Chemistry: Finding Spectra

Where To Look For Spectra

SciFinder-n
SciFinder Scholar contains IR and NMR spectra from Wiley Subscriptions and Japan's National Institute of Advanced Industrial Science and Technology: 142,000 NMR | 28,000 IR |19,000 MS.
REAXYS
Reaxys (from Elsevier) contains an extensive repository of experimentally organic, inorganic and organometallic chemical data that chemists need. Includes structures, reactions (including multi-step reactions), and physical properties.

Spectral Database System (SDBS)
SDBS is an integrated spectral database system for organic compounds, which includes 6 different types of spectra under a directory of the compounds. The six spectra are: an electron impact Mass spectrum (EI-MS), a Fourier transform infrared spectrum (FT-IR), a 1H nuclear magnetic resonance (NMR) spectrum, a 13C NMR spectrum, a laser Raman spectrum, and an electron spin resonance (ESR) spectrum.
PubChem Substance Database
The PubChem Compound/Substance Database contains validated chemical depiction information that is provided to describe substances in PubChem Substance.
To View Spectral Properties: Search for a substance and click on the record. There, click on Chemical and Physical Properties and scroll to Spectral Properties. Hovering over each line will show the citation where the information came from.
NIST Chemistry WebBook
The NIST Chemistry WebBook provides access to data compiled and distributed by NIST under the Standard Reference Data Program. IR spectra for over 16,000 compounds. Mass spectra for over 15,000 compounds. UV/Vis spectra for over 1600 compounds. Gas chromatography data for over 27,000 compounds. Electronic and vibrational spectra for over 5000 compounds ALSO: Thermochemical data for over 7000 organic and small inorganic compounds.
ChemExper
The ChemExper Chemical Directory contains over 200,000 different chemicals, 10,000 MSDS, and over 10,000 IR spectra.
NMRShiftDB
NMRShiftDB is a web database for organic structures and their nuclear magnetic resonance (NMR) spectra. It allows for spectrum prediction (currently only for carbon) as well as for searching spectra, structures, and other properties.
Sigma-Aldrich
To View Spectra: Find a substance using either the Data Specific Search or the Structure Search. Click on the substance number, then the Safety & Documentation tab; PDF spectra are linked on the left column, under the Certificate of Origin search.
Colby Organic Database
Indexes 2,483 compounds, searchable by physical data.

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Chemistry

Where To Look For Spectra

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Research Guides

Chemistry

Where To Look For Spectra

Contact Us

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University Library

Research

Services & Spaces

Special Collections

Giving to the Library

About