Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C13H9FN2/c14-11-6-2-1-5-10(11)12-9-16-8-4-3-7-13(16)15-12/h1-9H
SMILES Fc1ccccc1c1nc2n(c1)cccc2
InChI Key SANQKCXADXGKQK-UHFFFAOYSA-N
Molecular Formula C13H9FN2
Exact Mass 212.222 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SANQKCXADXGKQK-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/SANQKCXADXGKQK-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-03-03
Related Molecule
  • 2-(2-fluorophenyl)imidazo[1,2-a]pyridine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    78909026 PubChem
    ZINC000042829001 ZINC
    J3.217.539B Nikkaji
    The data in this table is sourced from UniChem at EBI.