Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C6H4ClFO2S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4H
SMILES Fc1cccc(c1)S(=O)(=O)Cl
InChI Key OKYSUJVCDXZGKE-UHFFFAOYSA-N
Molecular Formula C6H4ClFO2S
Exact Mass 194.611 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OKYSUJVCDXZGKE-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/OKYSUJVCDXZGKE-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • 3-fluorobenzenesulfonyl chloride
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : SG-CCP-3755

    date : 20240722

    starting time : 9.54 h

    label : CCP-3573

    id : 317097

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    title : SG-CCP-3755

    date : 20240722

    starting time : 9.48 h

    label : CCP-3573

    id : 317097

    Solvent : DMSO

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    67448 surechembl
    2734258 pubchem
    Molport-000-146-973 molport
    The data in this table is sourced from UniChem at EBI.