Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C13H12F3N3O/c1-7(2)6-10(20)17-12-8-4-3-5-9(13(14,15)16)11(8)18-19-12/h3-6H,1-2H3,(H2,17,18,19,20)
SMILES O=C(Nc1n[nH]c2c1cccc2C(F)(F)F)C=C(C)C
InChI Key SMGJSDCXNIXMQR-UHFFFAOYSA-N
Molecular Formula C13H12F3N3O
Exact Mass 283.249 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SMGJSDCXNIXMQR-UHFFFAOYSA-N/NMR/1H/MeOD/400.1
License URL
Source https://www.chemotion-repository.net/inchikey/SMGJSDCXNIXMQR-UHFFFAOYSA-N/NMR/1H/MeOD/400.1
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]but-2-enamide
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    91808061 pubchem
    The data in this table is sourced from UniChem at EBI.