Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H26O2S2/c1-5-13(17)9-11(3)15(16-19-7-8-20-16)12(4)10-14(18)6-2/h11-12H,5-10H2,1-4H3
SMILES	CCC(=O)CC(C(=C1SCCS1)C(CC(=O)CC)C)C
InChI Key	BAPCQQRWXYOJGB-UHFFFAOYSA-N
Molecular Formula	C16H26O2S2
Exact Mass	314.506 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/BAPCQQRWXYOJGB-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/BAPCQQRWXYOJGB-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:27:34.900289
MetadataModified	2024-09-07T14:26:15.466643
MetadataPublished	2018-05-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133083281	PubChem
The data in this table is sourced from UniChem at EBI.