Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H24OS2/c1-4-6-7-12(10-11(3)15)13(5-2)14-16-8-9-17-14/h12H,4-10H2,1-3H3
SMILES	CCCCC(C(=C1SCCS1)CC)CC(=O)C
InChI Key	KDAUXNCFMLRQRP-UHFFFAOYSA-N
Molecular Formula	C14H24OS2
Exact Mass	272.470 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/KDAUXNCFMLRQRP-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/KDAUXNCFMLRQRP-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:23:38.083536
MetadataModified	2024-09-07T14:19:35.097128
MetadataPublished	2018-04-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133053742	PubChem
The data in this table is sourced from UniChem at EBI.