Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C6H4ClFO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H
SMILES Fc1ccc(cc1)S(=O)(=O)Cl
InChI Key BFXHJFKKRGVUMU-UHFFFAOYSA-N
Molecular Formula C6H4ClFO2S
Exact Mass 194.611 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BFXHJFKKRGVUMU-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/BFXHJFKKRGVUMU-UHFFFAOYSA-N/CHMO0000597
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • 4-fluorobenzenesulfonyl chloride
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    20208251 NMRShiftDB
    511688 eMolecules
    14748597 PubChem: Thomson Pharma
    SCHEMBL17242 SureChEMBL
    349-88-2 ACToR
    J33G Nikkaji
    ZINC000095736303 ZINC
    DTXSID3059846 EPA CompTox Dashboard
    CB2233466 ChemicalBook
    9588 PubChem
    MCULE-9745785848 Mcule
    The data in this table is sourced from UniChem at EBI.