Research Guides: CHEM 212: Organic Chemistry (BMC): Find Spectra and Chemical Properties

Find Spectra and Properties of Your Chemical or Drug Name

Here are some other good databases to find information about chemical compounds: spectra, molecular weight, CAS Registry numbers and common physical property data.

Spectral Database for Organic Compounds, SDBS
A free site from the National Institute of Advanced Industrial Science and Technology (AIST) in Japan
DrugBank
A freely accessible database containing information on over 11,000 drugs and drug targets. As both a bioinformatics and a cheminformatics resource, DrugBank combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information.

PubChem
This resource provides information on the chemical structures and biological activities of small organic molecules. Includes substance information, compound structures, and bioactivity data in three primary databases, PCSubstance, PCCompound, and PCBioAssay, respectively. Provides a search engine, compound neighboring, sub/superstructure, similarity structure, bioactivity data, and other searching features.

Additional Chemical Property Databases

ChemSpider
A free chemical structure database of over 28 million compounds. Search by name or structure to find property data and spectra, with sources included.

Reaxys
Structures, reactions, physical & chemical property data (w/ literature citations) for over 11 million organic and 2 million inorganic, organometallic substances.