Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H16OS2/c1-2-10(11-13-5-6-14-11)8-3-4-9(12)7-8/h8H,2-7H2,1H3
SMILES	CCC(=C1SCCS1)C1CCC(=O)C1
InChI Key	BTUSJJHTMUJDHS-UHFFFAOYSA-N
Molecular Formula	C11H16OS2
Exact Mass	228.374 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/BTUSJJHTMUJDHS-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/BTUSJJHTMUJDHS-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:26:47.754662
MetadataModified	2024-09-07T14:24:08.860992
MetadataPublished	2018-05-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133083272	PubChem
The data in this table is sourced from UniChem at EBI.