Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H2F6N2O6S2/c11-9(12,13)25(19,20)23-7-1-2-8(6(4-18)5(7)3-17)24-26(21,22)10(14,15)16/h1-2H
SMILES N#Cc1c(ccc(c1C#N)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChI Key FCAPKPPCJBYHEC-UHFFFAOYSA-N
Molecular Formula C10H2F6N2O6S2
Exact Mass 424.253 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FCAPKPPCJBYHEC-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/FCAPKPPCJBYHEC-UHFFFAOYSA-N/CHMO0000593
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-07
Related Molecule
  • [2,3-dicyano-4-(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL3627292 SureChEMBL
    16368629 PubChem: Thomson Pharma
    11281687 PubChem
    J2.742.395G Nikkaji
    WUJKIX CCDC
    The data in this table is sourced from UniChem at EBI.