Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C14H19ClN2S2/c1-3-12(14-18-8-5-9-19-14)16-17-13-7-4-6-11(15)10(13)2/h4,6-7,14,17H,3,5,8-9H2,1-2H3/b16-12+
SMILES	CC/C(=N\Nc1cccc(c1C)Cl)/C1SCCCS1
InChI Key	DOOKAJSROQQPMC-FOWTUZBSSA-N
Molecular Formula	C14H19ClN2S2
Exact Mass	314.897 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DOOKAJSROQQPMC-FOWTUZBSSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/DOOKAJSROQQPMC-FOWTUZBSSA-N/IR
Version
Author	Bettina Stanek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:54:07.835499
MetadataModified	2024-09-07T12:17:49.801389
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
73427309	PubChem
The data in this table is sourced from UniChem at EBI.