Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C21H22OS2/c1-2-18(21-23-13-14-24-21)19(16-9-5-3-6-10-16)15-20(22)17-11-7-4-8-12-17/h3-12,19H,2,13-15H2,1H3
SMILES	CCC(=C1SCCS1)C(c1ccccc1)CC(=O)c1ccccc1
InChI Key	FFNUZHPVLBYLFF-UHFFFAOYSA-N
Molecular Formula	C21H22OS2
Exact Mass	354.529 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/FFNUZHPVLBYLFF-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/FFNUZHPVLBYLFF-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:23:42.800025
MetadataModified	2024-09-07T14:19:49.270748
MetadataPublished	2018-04-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133053743	PubChem
The data in this table is sourced from UniChem at EBI.