Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H16OS2/c1-11(15)7-8-13(14-16-9-10-17-14)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
SMILES	CC(=O)CCC(=C1SCCS1)c1ccccc1
InChI Key	LXKWSUYFYQCLRX-UHFFFAOYSA-N
Molecular Formula	C14H16OS2
Exact Mass	264.406 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LXKWSUYFYQCLRX-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/LXKWSUYFYQCLRX-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:21:18.368137
MetadataModified	2024-09-07T14:15:54.359632
MetadataPublished	2018-04-27

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133053727	PubChem
The data in this table is sourced from UniChem at EBI.