Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C7H4F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
SMILES O=Cc1ccc(c(c1)F)F
InChI Key JPHKMYXKNKLNDF-UHFFFAOYSA-N
Molecular Formula C7H4F2O
Exact Mass 142.103 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JPHKMYXKNKLNDF-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/JPHKMYXKNKLNDF-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-28
Related Molecule
  • 3,4-difluorobenzaldehyde
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : CCP-3826

    date : 20250213

    starting time : 18.08 h

    label : CCP-3670

    id : 344563

    Solvent : DMSO

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    title : CCP-3826

    date : 20250213

    starting time : 18.18 h

    label : CCP-3670

    id : 344563

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.