Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H20OS2/c1-8(2)11(7-9(3)13)10(4)12-14-5-6-15-12/h8,11H,5-7H2,1-4H3
SMILES	CC(C(C(=C1SCCS1)C)CC(=O)C)C
InChI Key	LBBLNZCUATYWIS-UHFFFAOYSA-N
Molecular Formula	C12H20OS2
Exact Mass	244.417 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/LBBLNZCUATYWIS-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/LBBLNZCUATYWIS-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:22:39.904599
MetadataModified	2024-09-07T14:18:06.936776
MetadataPublished	2018-04-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133053736	PubChem
The data in this table is sourced from UniChem at EBI.