Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H20OS2/c1-12(11-13(2)17)15(14-7-4-3-5-8-14)16-18-9-6-10-19-16/h3-5,7-8,12H,6,9-11H2,1-2H3
SMILES	CC(C(=C1SCCCS1)c1ccccc1)CC(=O)C
InChI Key	MSEWRYWMSSBPBP-UHFFFAOYSA-N
Molecular Formula	C16H20OS2
Exact Mass	292.459 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MSEWRYWMSSBPBP-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/MSEWRYWMSSBPBP-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:24:20.156296
MetadataModified	2024-09-07T14:20:54.345040
MetadataPublished	2018-05-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133083259	PubChem
The data in this table is sourced from UniChem at EBI.