Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

dataset for 19F nuclear magnetic resonance spectroscopy (19F 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/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/YJTXQLYMECWULH-UHFFFAOYSA-N/CHMO0000597
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 5-fluoropyridin-2-amine
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    516591 eMolecules
    16238211 PubChem: Thomson Pharma
    U1Q PDBe
    SCHEMBL103719 SureChEMBL
    2737701 PubChem
    21717-96-4 ACToR
    ZINC000019735097 ZINC
    CB8471590 ChemicalBook
    CB8350068 ChemicalBook
    20142261 NMRShiftDB
    MCULE-2851765648 Mcule
    194590 ChEBI
    J260.116H Nikkaji
    CB32129791 ChemicalBook
    The data in this table is sourced from UniChem at EBI.