Research Guides: Property Data for Chemicals and Materials: Spectra and Spectral Data

General Sources for Spectra and Spectral Data

SciFinder-n
SciFinder-n is the updated version of SciFinder and is the best database for topics related to chemistry and adjacent fields. It includes journal articles, book chapters, dissertations, and patents. Find substance and reaction information as well as suppliers and chemical regulatory data.
Registration is required, and you must download the Virtual Private Network (VPN) from UMN Office of Information Technology, set up new account if you don't have one and then log in to it for off-campus access.

SpectraBase
Free database of spectra, covering hundreds of thousands of organic, organometallic and inorganic compounds, including NMR, IR, Raman, UV-Vis, and mass spectra. Note that free registration is required to access results.
Spectra and Spectral Data Guide
A guide to online and print sources for spectra and spectral data from UT Austin

Reaxys
Provides access to chemical structure, reaction, and property information on organic, inorganic, and organometallic compounds; its contents are derived from Beilstein (organic compounds) and Gmelin (inorganic and organometallic compounds), which date to the 18th and 19th centuries, as well as selected English-language chemical patents.

SDBS (Spectral Database for Organic Compounds)
Free online searchable database with spectral data for ~34,000 organic molecules for electron impact Mass spectrum (EI-MS), Fourier transform infrared (FT-IR), 1H and 13C nuclear magnetic resonance (NMR), laser Raman, and electron spin resonance (ESR)) spectra. Hosted by the National Institute of Advanced Industrial Science & Technology in Japan
NMRShiftDB
Search NMR spectra by name, molecular formula, structure, or chemical shift data

Properties of Organic Compounds
Substructure-searchable database (with plug-in) that includes physical & spectral data and structures for more than 29,000 commonly-used organic compounds.
Reaxys
Provides access to chemical structure, reaction, and property information on organic, inorganic, and organometallic compounds; its contents are derived from Beilstein (organic compounds) and Gmelin (inorganic and organometallic compounds), which date to the 18th and 19th centuries, as well as selected English-language chemical patents.

Last Updated: Apr 4, 2022 6:00 PM