Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

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/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/ISSXDMNIXWMHRB-UHFFFAOYSA-N/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-01-20
Related Molecule
  • 2-(trifluoromethyl)benzenesulfonohydrazide
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : Aug23-2024

    date : 20240823

    starting time : 9.32 h

    label : KT-1058

    id : 322218

    Solvent : CD3CN

    temperature : 296.7 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    17950803 PubChem
    SCHEMBL422146 SureChEMBL
    The data in this table is sourced from UniChem at EBI.