Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H15NOS/c1-3-18-13-7-5-12(6-8-13)16-17-14-9-4-11(2)10-15(14)19-16/h4-10H,3H2,1-2H3
SMILES	CCOc1ccc(cc1)c1nc2c(s1)cc(cc2)C
InChI Key	AZFTWUQDMMNFBC-UHFFFAOYSA-N
Molecular Formula	C16H15NOS
Exact Mass	269.361 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/AZFTWUQDMMNFBC-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/AZFTWUQDMMNFBC-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:28:57.829608
MetadataModified	2024-09-07T17:02:02.988970
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000073635065	ZINC
13797185	PubChem
The data in this table is sourced from UniChem at EBI.