Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C7H4N4O/c1-4-7(12)11-6(3-9)5(2-8)10-4/h1H3,(H,11,12)
SMILES N#Cc1[nH]c(=O)c(nc1C#N)C
InChI Key GWQUFNJIVJLZRO-UHFFFAOYSA-N
Molecular Formula C7H4N4O
Exact Mass 160.133 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GWQUFNJIVJLZRO-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/GWQUFNJIVJLZRO-UHFFFAOYSA-N/CHMO0000593
Version
Author Victor Larignon
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-02
Related Molecule
  • 5-methyl-6-oxo-1H-pyrazine-2,3-dicarbonitrile
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000068591855 ZINC
    J739.489F Nikkaji
    SCHEMBL20121351 SureChEMBL
    36087504 eMolecules
    12619141 PubChem
    The data in this table is sourced from UniChem at EBI.