Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C19H20S2/c1-14-3-7-16(8-4-14)20-18-11-19(12-18,13-18)21-17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3
SMILES	Cc1ccc(cc1)SC12CC(C1)(C2)Sc1ccc(cc1)C
InChI Key	NZNGNSDNZKZZOJ-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/NZNGNSDNZKZZOJ-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/NZNGNSDNZKZZOJ-UHFFFAOYSA-N/Mass
Version
Author	Robin Bär
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:49:00.966789
MetadataModified	2024-09-07T14:42:10.777433
MetadataPublished	2019-02-01

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
137321625	PubChem
The data in this table is sourced from UniChem at EBI.