Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C22H16F3N3O/c1-13-5-2-3-6-16(13)14-9-11-15(12-10-14)21(29)26-20-17-7-4-8-18(22(23,24)25)19(17)27-28-20/h2-12H,1H3,(H2,26,27,28,29)
SMILES	O=C(c1ccc(cc1)c1ccccc1C)Nc1n[nH]c2c1cccc2C(F)(F)F
InChI Key	KXPGFSVJDPENCH-UHFFFAOYSA-N
Molecular Formula	C22H16F3N3O
Exact Mass	395.377 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/KXPGFSVJDPENCH-UHFFFAOYSA-N/NMR/13C/DMSO/100.1
License URL
Source	https://www.chemotion-repository.net/inchikey/KXPGFSVJDPENCH-UHFFFAOYSA-N/NMR/13C/DMSO/100.1
Version
Author	Ana María García
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:32:59.171993
MetadataModified	2024-09-07T14:05:51.988160
MetadataPublished	2015-06-09

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

Data-Source Molecule ID	Data-Source
91808064	PubChem
The data in this table is sourced from UniChem at EBI.