Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H14F3N3O/c1-7(2)6-10(20)17-12-8-4-3-5-9(13(14,15)16)11(8)18-19-12/h3-5,7H,6H2,1-2H3,(H2,17,18,19,20)
SMILES CC(CC(=O)Nc1n[nH]c2c1cccc2C(F)(F)F)C
InChI Key YCYKSCMNYXMYQE-UHFFFAOYSA-N
Molecular Formula C13H14F3N3O
Exact Mass 285.265 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YCYKSCMNYXMYQE-UHFFFAOYSA-N/NMR/13C/DMSO/100.1
License URL
Source https://www.chemotion-repository.net/inchikey/YCYKSCMNYXMYQE-UHFFFAOYSA-N/NMR/13C/DMSO/100.1
Version
Author Ana María García
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-06-09
Related Molecule
  • 3-methyl-N-[7-(trifluoromethyl)-1H-indazol-3-yl]butanamide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    91808062 pubchem
    The data in this table is sourced from UniChem at EBI.