Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
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

Metadata Information

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
MetadataPublished 2015-06-09
Related Molecule
  • 4-(2-methylphenyl)-N-[7-(trifluoromethyl)-1H-indazol-3-yl]benzamide
    • 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.