Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H18OS2/c1-2-11(12-14-6-7-15-12)9-4-3-5-10(13)8-9/h9H,2-8H2,1H3
SMILES	CCC(=C1SCCS1)C1CCCC(=O)C1
InChI Key	LDEHBRRLPOXYNP-UHFFFAOYSA-N
Molecular Formula	C12H18OS2
Exact Mass	242.401 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LDEHBRRLPOXYNP-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/LDEHBRRLPOXYNP-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:27:21.070023
MetadataModified	2024-09-07T14:25:30.729786
MetadataPublished	2018-05-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133083278	PubChem
The data in this table is sourced from UniChem at EBI.