Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C13H22OS2/c1-4-5-6-12(9-10(2)14)11(3)13-15-7-8-16-13/h12H,4-9H2,1-3H3
SMILES	CCCCC(C(=C1SCCS1)C)CC(=O)C
InChI Key	OOWHPIJVOYHULD-UHFFFAOYSA-N
Molecular Formula	C13H22OS2
Exact Mass	258.443 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/OOWHPIJVOYHULD-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/OOWHPIJVOYHULD-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:22:44.396156
MetadataModified	2024-09-07T14:18:21.225676
MetadataPublished	2018-04-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133053737	PubChem
The data in this table is sourced from UniChem at EBI.