Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Information

molecular Image
InChI InChI=1S/C5H6F2O2/c1-2-3-5(6,7)4(8)9/h2H,1,3H2,(H,8,9)
SMILES C=CCC(C(=O)O)(F)F
InChI Key LHOKYUDUAYXFGF-UHFFFAOYSA-N
Molecular Formula C5H6F2O2
Exact Mass 136.097 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LHOKYUDUAYXFGF-UHFFFAOYSA-N/NMR/19F/CDCl3/376
License URL
Source https://www.chemotion-repository.net/inchikey/LHOKYUDUAYXFGF-UHFFFAOYSA-N/NMR/19F/CDCl3/376
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2,2-difluoropent-4-enoic acid
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    614455 surechembl
    11954656 pubchem
    Molport-003-993-587 molport
    The data in this table is sourced from UniChem at EBI.