Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H9F3O2/c1-16-10(15)9-4-2-8(3-5-9)6-7-11(12,13)14/h2-7H,1H3/b7-6-
SMILES COC(=O)c1ccc(cc1)/C=C\C(F)(F)F
InChI Key PMZMRRQEKAKDDJ-SREVYHEPSA-N
Molecular Formula C11H9F3O2
Exact Mass 230.183 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PMZMRRQEKAKDDJ-SREVYHEPSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/PMZMRRQEKAKDDJ-SREVYHEPSA-N/NMR/13C/CDCl3/100
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • methyl 4-[(Z)-3,3,3-trifluoroprop-1-enyl]benzoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427432 pubchem
    The data in this table is sourced from UniChem at EBI.