Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H6F3NO2/c11-10(12,13)9-14-7(8(15)16-9)6-4-2-1-3-5-6/h1-5,9H
SMILES FC(C1N=C(C(=O)O1)c1ccccc1)(F)F
InChI Key GOUDGRBOWFMVRW-UHFFFAOYSA-N
Molecular Formula C10H6F3NO2
Exact Mass 229.155 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GOUDGRBOWFMVRW-UHFFFAOYSA-N/13CNMR
License URL
Source https://www.chemotion-repository.net/inchikey/GOUDGRBOWFMVRW-UHFFFAOYSA-N/13CNMR
Version
Author Patrick Hodapp
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-12-21
Related Molecule
  • 4-phenyl-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
    MCULE-2431691919 Mcule
    DTXSID50372401 EPA CompTox Dashboard
    SCHEMBL9191444 SureChEMBL
    5847545 eMolecules
    16095369 PubChem: Thomson Pharma
    2740931 PubChem
    The data in this table is sourced from UniChem at EBI.