Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C6H6N4/c7-5-1-3-6(4-2-5)9-10-8/h1-4H,7H2
SMILES Nc1ccc(cc1)N=N#N
InChI Key SSMVDPYHLFEAJE-UHFFFAOYSA-N
Molecular Formula C6H6N4
Exact Mass 134.139 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SSMVDPYHLFEAJE-UHFFFAOYSA-N/NMR/1H/CDCl3/300
License URL
Source https://www.chemotion-repository.net/inchikey/SSMVDPYHLFEAJE-UHFFFAOYSA-N/NMR/1H/CDCl3/300
Version
Author Katharina Peschko
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 4-azidoaniline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J227.217B Nikkaji
    CHEMBL3236180 ChEMBL
    84674 PubChem
    ZINC000012956370 ZINC
    DTXSID80164033 EPA CompTox Dashboard
    16336803 PubChem: Thomson Pharma
    SCHEMBL411432 SureChEMBL
    14860-64-1 ACToR
    The data in this table is sourced from UniChem at EBI.