Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C25H22OS2/c26-23(20-12-6-2-7-13-20)18-22(19-10-4-1-5-11-19)24(25-27-16-17-28-25)21-14-8-3-9-15-21/h1-15,22H,16-18H2
SMILES	O=C(c1ccccc1)CC(C(=C1SCCS1)c1ccccc1)c1ccccc1
InChI Key	GEPFNJDSCKCSTO-UHFFFAOYSA-N
Molecular Formula	C25H22OS2
Exact Mass	402.572 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/GEPFNJDSCKCSTO-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/GEPFNJDSCKCSTO-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:22:30.239733
MetadataModified	2024-09-07T14:17:36.890425
MetadataPublished	2018-04-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133053734	PubChem
The data in this table is sourced from UniChem at EBI.