Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H20OS2/c1-3-4-5-11(8-10(2)13)9-12-14-6-7-15-12/h9,11H,3-8H2,1-2H3
SMILES	CCCCC(C=C1SCCS1)CC(=O)C
InChI Key	UYKAJJCGWWOEHW-UHFFFAOYSA-N
Molecular Formula	C12H20OS2
Exact Mass	244.417 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/UYKAJJCGWWOEHW-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/UYKAJJCGWWOEHW-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:38:30.887678
MetadataModified	2024-09-07T14:26:57.426296
MetadataPublished	2018-05-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133083284	PubChem
The data in this table is sourced from UniChem at EBI.