Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H22OS2/c1-3-15(18)12-13(2)16(14-8-5-4-6-9-14)17-19-10-7-11-20-17/h4-6,8-9,13H,3,7,10-12H2,1-2H3
SMILES	CCC(=O)CC(C(=C1SCCCS1)c1ccccc1)C
InChI Key	GIVITTWYMCQGJB-UHFFFAOYSA-N
Molecular Formula	C17H22OS2
Exact Mass	306.486 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/GIVITTWYMCQGJB-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/GIVITTWYMCQGJB-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:24:24.677813
MetadataModified	2024-09-07T14:21:10.443501
MetadataPublished	2018-05-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133083260	PubChem
The data in this table is sourced from UniChem at EBI.