Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
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

Metadata Information

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
MetadataPublished 2015-06-09
Related Molecule
  • 4-methoxy-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
    91808063 pubchem
    The data in this table is sourced from UniChem at EBI.