Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C20H20OS2/c1-15(21)14-18(16-8-4-2-5-9-16)19(20-22-12-13-23-20)17-10-6-3-7-11-17/h2-11,18H,12-14H2,1H3
SMILES	CC(=O)CC(C(=C1SCCS1)c1ccccc1)c1ccccc1
InChI Key	LRVYWKBWOILOMV-UHFFFAOYSA-N
Molecular Formula	C20H20OS2
Exact Mass	340.502 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/LRVYWKBWOILOMV-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/LRVYWKBWOILOMV-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:22:09.463908
MetadataModified	2024-09-07T14:17:22.933384
MetadataPublished	2018-04-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133053733	PubChem
The data in this table is sourced from UniChem at EBI.