Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C7H3F3I2/c8-7(9,10)5-3-4(11)1-2-6(5)12/h1-3H
SMILES Ic1ccc(c(c1)C(F)(F)F)I
InChI Key BWOUDBUUUWOFGW-UHFFFAOYSA-N
Molecular Formula C7H3F3I2
Exact Mass 397.903 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BWOUDBUUUWOFGW-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/BWOUDBUUUWOFGW-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 1,4-diiodo-2-(trifluoromethyl)benzene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    6058773 surechembl
    22336484 pubchem
    Molport-035-769-854 molport
    The data in this table is sourced from UniChem at EBI.