Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C 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/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/SSMVDPYHLFEAJE-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Katharina Peschko
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 4-azidoaniline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3236180 chembl
    13449658 surechembl
    84674 pubchem
    DTXSID80164033 comptox
    Molport-006-121-025 molport
    The data in this table is sourced from UniChem at EBI.