Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C14H17ClN2O2S2/c1-9-10(15)5-3-6-11(9)16-17-12(13(18)19-2)14-20-7-4-8-21-14/h3,5-6,14,16H,4,7-8H2,1-2H3/b17-12+
SMILES	COC(=O)/C(=N\Nc1cccc(c1C)Cl)/C1SCCCS1
InChI Key	NVMIQTWQIBJKHM-SFQUDFHCSA-N
Molecular Formula	C14H17ClN2O2S2
Exact Mass	344.880 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NVMIQTWQIBJKHM-SFQUDFHCSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/NVMIQTWQIBJKHM-SFQUDFHCSA-N/IR
Version
Author	Bettina Stanek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:57:59.676226
MetadataModified	2024-09-07T12:28:31.685364
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
73427408	PubChem
The data in this table is sourced from UniChem at EBI.