National Institute of Standards and Technology

NIST Chemistry WebBook, SRD 69

Search for Species Data by IUPAC International Identifier

This form allows searching on IUPAC International Chemical Identifiers (InChI) and standard InChI hashes (InChIKey).

Please follow the steps below to conduct your search (Help):

Enter an InChI or InChIKey string:
Select the desired units for thermodynamic data:
SI calorie-based

Select the desired type(s) of data:

Thermodynamic Data	Other Data
Gas phase	IR spectrum
Condensed phase	THz IR spectrum
Phase change	Mass spectrum
Reaction	UV/Vis spectrum
Ion energetics	Gas Chromatography
Ion cluster	Vibrational & electronic energy levels
	Constants of diatomic molecules
	Henry's Law

Press here to search:

IUPAC Identifier Search Help (Back to search)

When possible, use your computer's copy and paste features to copy the identifier into the text box.
If searching on an InChI string, please enter the full identifier string, including the “InChI=” portion.
Please note that this search will only find species which have structures in the database. If this search cannot find the species you are looking for consider using another search type.