Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H6F3N/c1-6-4-7(5-13)2-3-8(6)9(10,11)12/h2-4H,1H3
SMILES N#Cc1ccc(c(c1)C)C(F)(F)F
InChI Key DNVBDMCLGYHTFD-UHFFFAOYSA-N
Molecular Formula C9H6F3N
Exact Mass 185.146 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DNVBDMCLGYHTFD-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/DNVBDMCLGYHTFD-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 3-methyl-4-(trifluoromethyl)benzonitrile
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    171819 surechembl
    57468696 pubchem
    Molport-006-826-518 molport
    The data in this table is sourced from UniChem at EBI.