Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H10F3NO2/c1-4(2)3-5-6(13)14-7(12-5)8(9,10)11/h4,7H,3H2,1-2H3
SMILES CC(CC1=NC(OC1=O)C(F)(F)F)C
InChI Key MKMMPGZBUWWIQZ-UHFFFAOYSA-N
Molecular Formula C8H10F3NO2
Exact Mass 209.166 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MKMMPGZBUWWIQZ-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
License URL
Source https://www.chemotion-repository.net/inchikey/MKMMPGZBUWWIQZ-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-09-22
Related Molecule
  • 4-(2-methylpropyl)-2-(trifluoromethyl)-2H-1,3-oxazol-5-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    71357806 pubchem
    The data in this table is sourced from UniChem at EBI.