Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H12F4O4/c1-18-8-5-4-7(6-9(8)19-2)11(13,10(17)20-3)12(14,15)16/h4-6H,1-3H3
SMILES COC(=O)C(C(F)(F)F)(c1ccc(c(c1)OC)OC)F
InChI Key CAXIUYKIHFPTPC-UHFFFAOYSA-N
Molecular Formula C12H12F4O4
Exact Mass 296.215 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CAXIUYKIHFPTPC-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/CAXIUYKIHFPTPC-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • methyl 2-(3,4-dimethoxyphenyl)-2,3,3,3-tetrafluoropropanoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427435 pubchem
    The data in this table is sourced from UniChem at EBI.