Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C7H4ClF3N2O2/c8-4-1-3(7(9,10)11)2-5(6(4)12)13(14)15/h1-2H,12H2
SMILES [O-][N+](=O)c1cc(cc(c1N)Cl)C(F)(F)F
InChI Key JLWRJMVXRUKFPA-UHFFFAOYSA-N
Molecular Formula C7H4ClF3N2O2
Exact Mass 240.567 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JLWRJMVXRUKFPA-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/JLWRJMVXRUKFPA-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-23
Related Molecule
  • 2-chloro-6-nitro-4-(trifluoromethyl)aniline
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Title : SG-CCP-3690

    Date : 20231221

    Start time : 4.41 h

    Label : CCP-3520

    ID : 288863

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : deptsp135

    Number of scans : 256

    Instrument : spect

    Data-Source Molecule ID Data-Source
    205303 surechembl
    2734081 pubchem
    Molport-000-141-743 molport
    The data in this table is sourced from UniChem at EBI.