Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2
SMILES NCc1ccncc1
InChI Key TXQWFIVRZNOPCK-UHFFFAOYSA-N
Molecular Formula C6H8N2
Exact Mass 108.141 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TXQWFIVRZNOPCK-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/TXQWFIVRZNOPCK-UHFFFAOYSA-N/CHMO0000595
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • pyridin-4-ylmethanamine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    NNW rcsb_pdb
    CHEMBL1188378 chembl
    41000 surechembl
    77317 pubchem
    RBU553S74C fdasrs
    PD218787 probes_and_drugs
    110247 brenda
    220442 brenda
    263035 brenda
    6307 brenda
    NNW - Ideal conformer pdbe
    Molport-000-142-282 molport
    50232687 bindingdb
    The data in this table is sourced from UniChem at EBI.