Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H16OS2/c1-8(9-3-4-10(12)7-9)11-13-5-2-6-14-11/h9H,2-7H2,1H3
SMILES	O=C1CCC(C1)C(=C1SCCCS1)C
InChI Key	WQJQUKJBHBQXMD-UHFFFAOYSA-N
Molecular Formula	C11H16OS2
Exact Mass	228.374 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/WQJQUKJBHBQXMD-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/WQJQUKJBHBQXMD-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:25:31.638031
MetadataModified	2024-09-07T14:22:52.045175
MetadataPublished	2018-05-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133083267	PubChem
The data in this table is sourced from UniChem at EBI.