Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C7H7F3N2O2S/c8-7(9,10)5-3-1-2-4-6(5)15(13,14)12-11/h1-4,12H,11H2
SMILES NNS(=O)(=O)c1ccccc1C(F)(F)F
InChI Key ISSXDMNIXWMHRB-UHFFFAOYSA-N
Exact Mass 240.203 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ISSXDMNIXWMHRB-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ISSXDMNIXWMHRB-UHFFFAOYSA-N/CHMO0000595
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-01-20
Related Molecule
  • 2-(trifluoromethyl)benzenesulfonohydrazide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : Aug23-2024

    Date : 20240824

    Start time : 10.54 h

    Label : KT-1058

    ID : 322218

    Solvent : CD3CN

    Temperature : 298.1 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    422146 surechembl
    17950803 pubchem
    Molport-007-989-658 molport
    The data in this table is sourced from UniChem at EBI.