Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C15H13NOS/c1-10-3-8-13-14(9-10)18-15(16-13)11-4-6-12(17-2)7-5-11/h3-9H,1-2H3
SMILES	COc1ccc(cc1)c1nc2c(s1)cc(cc2)C
InChI Key	AWYKSNJSUDJLBZ-UHFFFAOYSA-N
Molecular Formula	C15H13NOS
Exact Mass	255.335 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/AWYKSNJSUDJLBZ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/AWYKSNJSUDJLBZ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:34:56.204614
MetadataModified	2024-09-07T17:10:00.603994
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J2.791.902B	Nikkaji
ZINC000039343608	ZINC
12939261	PubChem
The data in this table is sourced from UniChem at EBI.