All of the key databases for searching spectra and property data for Chem 143C. On the other pages you'll more organic chemistry resources.
|Locating Physical Properties and/or Spectra
|204 million substances indexed in the CAS Registry. Most with at least some property data (about 40 properties total), with spectra available for 983K compounds.
From the CAS Registry record, go to:
You can search one or more properties (values, ranges, and > or <) to identify potential compounds that match your data.
|Millions of substances, all with at least some property data. More than 500 property data fields, vs. the 40 in SciFinder.
In the substance record, go to::
You can use the Query Builder to search on one or more properties (values, ranges, and > or <) to identify potential compounds.
|Combined search platform for the Combined Chemical Dictionary, CRC Handbook of Chemistry and Physics, and Properties of Organic Compounds.
You can view the substance record from the individual databases.
You can search on properties by starting with the individual databases. To search on IR or mass spectral peaks, search Properties of Organic Compounds.
|Property database for more than 116 million small molecules, with properties compiled from hundreds of data sources.
From the compound record, check
|Extensive collection of property data for compounds, extracted from a variety of handbooks and databases. Much of the data available in interactive tables and graphs for exporting.
Go to Property Search options:
|Free spectra repository, with hundreds of thousands of spectra. C-NMR, H-NMR, IR, Raman, Mass, UV-Vis. Data may also appear in PubChem.
|You can view the full spectra in SpectraBase, but free registration required (also some ads).
|SDBS (Spectral Database for Organic Compounds)
|Spectra for over 34K organic compounds
|Search your compound to view any available spectra: MS, H-NMR, C-NMR, FT-IR. Images can be saved or copied, and you can search on peaks and shifts.
|NIST Chemistry Webbook
|Free database of chemical, with property data and spectra.
Heavy on thermochemical data. Gas chromatography data for 27K compounds.
The 33K mass spectra and 16K IR spectra will appear in the record under "other data available."