Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C19H20S2/c1-3-7-16(8-4-1)11-20-18-13-19(14-18,15-18)21-12-17-9-5-2-6-10-17/h1-10H,11-15H2
SMILES	c1ccc(cc1)CSC12CC(C1)(C2)SCc1ccccc1
InChI Key	GXKYJSRHQMPAPZ-UHFFFAOYSA-N
Molecular Formula	C19H20S2
Exact Mass	312.492 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/GXKYJSRHQMPAPZ-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/GXKYJSRHQMPAPZ-UHFFFAOYSA-N/Mass
Version
Author	Robin Bär
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:53:46.259450
MetadataModified	2024-09-07T14:48:50.617674
MetadataPublished	2019-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
137333487	PubChem
The data in this table is sourced from UniChem at EBI.