Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H11F2NO2/c1-3-17-11(16)12(13,14)10-5-4-9(7-15)6-8(10)2/h4-6H,3H2,1-2H3
SMILES CCOC(=O)C(c1ccc(cc1C)C#N)(F)F
InChI Key YPBAFCPTVOGRGB-UHFFFAOYSA-N
Molecular Formula C12H11F2NO2
Exact Mass 239.218 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YPBAFCPTVOGRGB-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/YPBAFCPTVOGRGB-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • ethyl 2-(4-cyano-2-methylphenyl)-2,2-difluoroacetate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427446 pubchem
    The data in this table is sourced from UniChem at EBI.