Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H10F3N3O/c16-15(17,18)11-8-4-7-10-12(11)20-21-13(10)19-14(22)9-5-2-1-3-6-9/h1-8H,(H2,19,20,21,22)
SMILES O=C(c1ccccc1)Nc1n[nH]c2c1cccc2C(F)(F)F
InChI Key CGYIQHKSVDLZHA-UHFFFAOYSA-N
Molecular Formula C15H10F3N3O
Exact Mass 305.255 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CGYIQHKSVDLZHA-UHFFFAOYSA-N/NMR/13C/DMSO/100.1
License URL
Source https://www.chemotion-repository.net/inchikey/CGYIQHKSVDLZHA-UHFFFAOYSA-N/NMR/13C/DMSO/100.1
Version
Author Ana María García
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-05-28
Related Molecule
  • 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
    44155927 pubchem
    FUQYIA CCDC
    The data in this table is sourced from UniChem at EBI.