Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C15H16S2/c1-15(16-9-4-10-17-15)14-8-7-12-5-2-3-6-13(12)11-14/h2-3,5-8,11H,4,9-10H2,1H3
SMILES	CC1(SCCCS1)c1ccc2c(c1)cccc2
InChI Key	YBWHVXDRVWGCNO-UHFFFAOYSA-N
Molecular Formula	C15H16S2
Exact Mass	260.418 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YBWHVXDRVWGCNO-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/YBWHVXDRVWGCNO-UHFFFAOYSA-N/IR
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:56:36.644481
MetadataModified	2024-09-07T12:24:18.092900
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
598856	PubChem
J1.389.800F	Nikkaji
DTXSID00344693	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.