Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H9F3O/c1-14-9-4-2-8(3-5-9)6-7-10(11,12)13/h2-7H,1H3
SMILES COc1ccc(cc1)C=CC(F)(F)F
InChI Key SMILDTCRTVKJRM-UHFFFAOYSA-N
Molecular Formula C10H9F3O
Exact Mass 202.173 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SMILDTCRTVKJRM-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/SMILDTCRTVKJRM-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 1-methoxy-4-(3,3,3-trifluoroprop-1-enyl)benzene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    28288125 surechembl
    54313211 pubchem
    The data in this table is sourced from UniChem at EBI.