Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H10F2O2/c1-13-7-4-2-6(3-5-7)8(12)9(10)11/h2-5,8-9,12H,1H3
SMILES COc1ccc(cc1)C(C(F)F)O
InChI Key ISFCVJGNLBFSOB-UHFFFAOYSA-N
Molecular Formula C9H10F2O2
Exact Mass 188.171 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ISFCVJGNLBFSOB-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/ISFCVJGNLBFSOB-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Franziska Glaeser
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2,2-difluoro-1-(4-methoxyphenyl)ethanol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15783623 pubchem
    Molport-026-529-006 molport
    The data in this table is sourced from UniChem at EBI.