Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H7ClF4N2/c15-11-5-9(14(17,18)19)6-21-7-12(20-13(11)21)8-1-3-10(16)4-2-8/h1-7H
SMILES Fc1ccc(cc1)c1cn2c(n1)c(Cl)cc(c2)C(F)(F)F
InChI Key LHUTUFIEQFAVFB-UHFFFAOYSA-N
Molecular Formula C14H7ClF4N2
Exact Mass 314.665 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LHUTUFIEQFAVFB-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/LHUTUFIEQFAVFB-UHFFFAOYSA-N/CHMO0000597
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-03-03
Related Molecule
  • 8-chloro-2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1462462 ChEMBL
    ZINC000001399532 ZINC
    49517 BindingDB
    MCULE-7080898308 Mcule
    4910540 eMolecules
    1485610 PubChem
    The data in this table is sourced from UniChem at EBI.