Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C10H16O2S2/c1-3-8(4-5-9(11)12-2)10-13-6-7-14-10/h3-7H2,1-2H3
SMILES	CCC(=C1SCCS1)CCC(=O)OC
InChI Key	WEWHOQGGMKXBGI-UHFFFAOYSA-N
Molecular Formula	C10H16O2S2
Exact Mass	232.363 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/WEWHOQGGMKXBGI-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/WEWHOQGGMKXBGI-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:27:08.539458
MetadataModified	2024-09-07T14:25:16.562556
MetadataPublished	2018-05-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133083277	PubChem
The data in this table is sourced from UniChem at EBI.