Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C8H12OS/c9-10(7-1-2-7)8-3-6(4-8)5-8/h6-7H,1-5H2
SMILES	O=S(C12CC(C1)C2)C1CC1
InChI Key	WKEMTKKUQMLXPX-UHFFFAOYSA-N
Molecular Formula	C8H12OS
Exact Mass	156.245 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/WKEMTKKUQMLXPX-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/WKEMTKKUQMLXPX-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:38:15.395774
MetadataModified	2024-09-08T01:38:15.395779
MetadataPublished	2023-09-19
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
168499167	PubChem
The data in this table is sourced from UniChem at EBI.