Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Information

molecular Image
InChI InChI=1S/C6H4ClF3N2/c7-4-1-3(6(8,9)10)2-12-5(4)11/h1-2H,(H2,11,12)
SMILES Nc1ncc(cc1Cl)C(F)(F)F
InChI Key WXNPZQIRDCDLJD-UHFFFAOYSA-N
Molecular Formula C6H4ClF3N2
Exact Mass 196.558 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WXNPZQIRDCDLJD-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/WXNPZQIRDCDLJD-UHFFFAOYSA-N/CHMO0000597
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-08
Related Molecule
  • 3-chloro-5-(trifluoromethyl)pyridin-2-amine
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:194671 chebi
    CHEMBL5407211 chembl
    119730 surechembl
    607248 pubchem
    FT3V8L4S3Y fdasrs
    PD217843 probes_and_drugs
    GITKUQ CCDC
    1334351 bindingdb
    Molport-000-145-987 molport
    The data in this table is sourced from UniChem at EBI.