Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

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/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/TXQWFIVRZNOPCK-UHFFFAOYSA-N/CHMO0001148
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • pyridin-4-ylmethanamine
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1188378 ChEMBL
    DTXSID0063153 EPA CompTox Dashboard
    J58.007D Nikkaji
    ZINC000000158598 ZINC
    50232687 BindingDB
    NNW PDBe
    77317 PubChem
    14793688 PubChem: Thomson Pharma
    3731-53-1 ACToR
    SCHEMBL41000 SureChEMBL
    530964 eMolecules
    6307 Brenda
    220442 Brenda
    CB6127561 ChemicalBook
    110247 Brenda
    20027610 NMRShiftDB
    MCULE-8418049817 Mcule
    The data in this table is sourced from UniChem at EBI.