Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H20OS2/c1-4-10(13)8-9(3)11(5-2)12-14-6-7-15-12/h9H,4-8H2,1-3H3
SMILES	CCC(=C1SCCS1)C(CC(=O)CC)C
InChI Key	HNEMFLNWZMGKBV-UHFFFAOYSA-N
Molecular Formula	C12H20OS2
Exact Mass	244.417 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/HNEMFLNWZMGKBV-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/HNEMFLNWZMGKBV-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:23:10.315405
MetadataModified	2024-09-07T14:19:06.345287
MetadataPublished	2018-04-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133053740	PubChem
The data in this table is sourced from UniChem at EBI.