Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C8H12OS/c1-2-3-10(9)8-4-7(5-8)6-8/h2,7H,1,3-6H2
SMILES	C=CCS(=O)C12CC(C1)C2
InChI Key	YCWZATQZUIPZOB-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/YCWZATQZUIPZOB-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/YCWZATQZUIPZOB-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:39:14.548766
MetadataModified	2024-09-08T01:39:14.548772
MetadataPublished	2023-09-19

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
168499166	PubChem
The data in this table is sourced from UniChem at EBI.