Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C16H12F3N3O2/c1-24-10-7-5-9(6-8-10)15(23)20-14-11-3-2-4-12(16(17,18)19)13(11)21-22-14/h2-8H,1H3,(H2,20,21,22,23)
SMILES	COc1ccc(cc1)C(=O)Nc1n[nH]c2c1cccc2C(F)(F)F
InChI Key	JTTMNIOPQJFVJV-UHFFFAOYSA-N
Molecular Formula	C16H12F3N3O2
Exact Mass	335.281 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/JTTMNIOPQJFVJV-UHFFFAOYSA-N/NMR/13C/DMSO/100.1
License URL
Source	https://www.chemotion-repository.net/inchikey/JTTMNIOPQJFVJV-UHFFFAOYSA-N/NMR/13C/DMSO/100.1
Version
Author	Ana María García
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:32:57.001069
MetadataModified	2024-09-07T14:05:37.305068
MetadataPublished	2015-06-09

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
91808063	PubChem
The data in this table is sourced from UniChem at EBI.