Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C7H4ClF3O2S/c8-14(12,13)6-3-1-5(2-4-6)7(9,10)11/h1-4H
SMILES FC(c1ccc(cc1)S(=O)(=O)Cl)(F)F
InChI Key OZDCZHDOIBUGAJ-UHFFFAOYSA-N
Molecular Formula C7H4ClF3O2S
Exact Mass 244.619 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OZDCZHDOIBUGAJ-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/OZDCZHDOIBUGAJ-UHFFFAOYSA-N/CHMO0000596
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • 4-(trifluoromethyl)benzenesulfonyl chloride
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Title : SG-CCP-3757

    Date : 20240719

    Start time : 8.32 h

    Label : SGV-3455

    ID : 119458

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : deptsp135

    Number of scans : 256

    Instrument : spect

    Data-Source Molecule ID Data-Source
    522091 eMolecules
    16010395 PubChem: Thomson Pharma
    2777399 PubChem
    SCHEMBL61336 SureChEMBL
    MCULE-9687621736 Mcule
    CB9695812 ChemicalBook
    DTXSID50380506 EPA CompTox Dashboard
    ZINC000059796774 ZINC
    J1.687.297K Nikkaji
    The data in this table is sourced from UniChem at EBI.