Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C20H15NS/c1-14-7-12-18-19(13-14)22-20(21-18)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3
SMILES	Cc1ccc2c(c1)sc(n2)c1ccc(cc1)c1ccccc1
InChI Key	MQTOXMPVDWKAQQ-UHFFFAOYSA-N
Molecular Formula	C20H15NS
Exact Mass	301.405 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MQTOXMPVDWKAQQ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/MQTOXMPVDWKAQQ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:38:17.031616
MetadataModified	2024-09-07T17:14:34.655051
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000045923466	ZINC
50849845	PubChem
The data in this table is sourced from UniChem at EBI.