Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H20OS2/c1-4-11(13)8-9(2)10(3)12-14-6-5-7-15-12/h9H,4-8H2,1-3H3
SMILES	CCC(=O)CC(C(=C1SCCCS1)C)C
InChI Key	UEBNFWJRYWYELY-UHFFFAOYSA-N
Molecular Formula	C12H20OS2
Exact Mass	244.417 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/UEBNFWJRYWYELY-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/UEBNFWJRYWYELY-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:24:39.301260
MetadataModified	2024-09-07T14:21:54.044493
MetadataPublished	2018-05-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133083263	PubChem
The data in this table is sourced from UniChem at EBI.