Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C16H13F3N2S/c1-2-20-12-6-3-10(4-7-12)15-21-13-9-11(16(17,18)19)5-8-14(13)22-15/h3-9,20H,2H2,1H3
SMILES	CCNc1ccc(cc1)c1nc2c(s1)ccc(c2)C(F)(F)F
InChI Key	VKEFWPZGDKNHPJ-UHFFFAOYSA-N
Molecular Formula	C16H13F3N2S
Exact Mass	322.348 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/VKEFWPZGDKNHPJ-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/VKEFWPZGDKNHPJ-UHFFFAOYSA-N/CHMO0000597
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:30:30.281453
MetadataModified	2024-09-07T17:04:25.880709
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	19F nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
145944371	PubChem
The data in this table is sourced from UniChem at EBI.