Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H18OS2/c1-11(15)7-8-13(14-16-9-10-17-14)12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3
SMILES	CC(CCC(=C1SCCS1)c1ccccc1)O
InChI Key	OOECJNICVMRHHH-UHFFFAOYSA-N
Molecular Formula	C14H18OS2
Exact Mass	266.422 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/OOECJNICVMRHHH-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/OOECJNICVMRHHH-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:26:54.690346
MetadataModified	2024-09-07T14:24:31.827661
MetadataPublished	2018-05-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133083274	PubChem
The data in this table is sourced from UniChem at EBI.