Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H12F3NOS/c1-2-21-12-6-3-10(4-7-12)15-20-13-9-11(16(17,18)19)5-8-14(13)22-15/h3-9H,2H2,1H3
SMILES	CCOc1ccc(cc1)c1nc2c(s1)ccc(c2)C(F)(F)F
InChI Key	NISURZRTIYSNSA-UHFFFAOYSA-N
Molecular Formula	C16H12F3NOS
Exact Mass	323.333 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/NISURZRTIYSNSA-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NISURZRTIYSNSA-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:30:04.617428
MetadataModified	2024-09-07T17:03:37.263626
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145944369	PubChem
The data in this table is sourced from UniChem at EBI.