Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H8BrFN2/c14-9-5-6-13-16-12(8-17(13)7-9)10-3-1-2-4-11(10)15/h1-8H
SMILES Brc1ccc2n(c1)cc(n2)c1ccccc1F
InChI Key WIERVJWCSZUKSW-UHFFFAOYSA-N
Molecular Formula C13H8BrFN2
Exact Mass 291.118 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WIERVJWCSZUKSW-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/WIERVJWCSZUKSW-UHFFFAOYSA-N/CHMO0000597
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-03-03
Related Molecule
  • 6-bromo-2-(2-fluorophenyl)imidazo[1,2-a]pyridine
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    78909046 PubChem
    ZINC000076535434 ZINC
    The data in this table is sourced from UniChem at EBI.