Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H9F3O4/c1-17-9(15)6-3-7(10(16)18-2)5-8(4-6)11(12,13)14/h3-5H,1-2H3
SMILES COC(=O)c1cc(cc(c1)C(F)(F)F)C(=O)OC
InChI Key JIIRKRJNBBUTBR-UHFFFAOYSA-N
Molecular Formula C11H9F3O4
Exact Mass 262.182 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JIIRKRJNBBUTBR-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/JIIRKRJNBBUTBR-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • dimethyl 5-(trifluoromethyl)benzene-1,3-dicarboxylate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    475762 surechembl
    57496009 pubchem
    The data in this table is sourced from UniChem at EBI.