Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C15H16OS2/c16-13-7-6-12(10-13)14(15-17-8-9-18-15)11-4-2-1-3-5-11/h1-5,12H,6-10H2
SMILES	O=C1CCC(C1)C(=C1SCCS1)c1ccccc1
InChI Key	LOEMJXFENGAIRJ-UHFFFAOYSA-N
Molecular Formula	C15H16OS2
Exact Mass	276.417 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/LOEMJXFENGAIRJ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/LOEMJXFENGAIRJ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:19:33.603140
MetadataModified	2024-09-07T21:58:26.931423
MetadataPublished	2022-03-11

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
162640624	PubChem
The data in this table is sourced from UniChem at EBI.