Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C9H12OS2/c10-8-2-1-7(5-8)6-9-11-3-4-12-9/h6-7H,1-5H2
SMILES	O=C1CCC(C1)C=C1SCCS1
InChI Key	OQIFLRJENUJSFT-UHFFFAOYSA-N
Molecular Formula	C9H12OS2
Exact Mass	200.321 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/OQIFLRJENUJSFT-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/OQIFLRJENUJSFT-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:38:21.464332
MetadataModified	2024-09-07T14:26:42.829659
MetadataPublished	2018-05-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133083283	PubChem
The data in this table is sourced from UniChem at EBI.