Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C13H15FN2O2S2/c1-18-12(17)11(13-19-7-2-8-20-13)16-15-10-5-3-9(14)4-6-10/h3-6,13,15H,2,7-8H2,1H3/b16-11+
SMILES	COC(=O)/C(=N\Nc1ccc(cc1)F)/C1SCCCS1
InChI Key	JVWLXWRVDDKDLA-LFIBNONCSA-N
Molecular Formula	C13H15FN2O2S2
Exact Mass	314.399 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JVWLXWRVDDKDLA-LFIBNONCSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/JVWLXWRVDDKDLA-LFIBNONCSA-N/IR
Version
Author	Bettina Stanek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:49:52.955160
MetadataModified	2024-09-07T12:28:06.468844
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
73427407	PubChem
The data in this table is sourced from UniChem at EBI.