Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C5H5FN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)
SMILES Nc1ccc(cn1)F
InChI Key YJTXQLYMECWULH-UHFFFAOYSA-N
Molecular Formula C5H5FN2
Exact Mass 112.105 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YJTXQLYMECWULH-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/YJTXQLYMECWULH-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 5-fluoropyridin-2-amine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:194590 chebi
    U1Q rcsb_pdb
    103719 surechembl
    13174783 surechembl
    30428883 surechembl
    2737701 pubchem
    L2H46AT7ZN fdasrs
    PD237011 probes_and_drugs
    Molport-000-140-007 molport
    The data in this table is sourced from UniChem at EBI.