Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C3H6N6O/c4-5-3(10)1-2-6-8-9-7-2/h1,4H2,(H,5,10)(H,6,7,8,9)
SMILES NNC(=O)Cc1nnn[nH]1
InChI Key TWKUAKLZOIABHJ-UHFFFAOYSA-N
Molecular Formula C3H6N6O
Exact Mass 142.119 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TWKUAKLZOIABHJ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/TWKUAKLZOIABHJ-UHFFFAOYSA-N/CHMO0000595
Version
Author Andreas Link
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-05-16
Related Molecule
  • 2-(2H-tetrazol-5-yl)acetohydrazide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3785434 chembl
    55281807 pubchem
    223562 brenda
    Molport-020-394-554 molport
    50158850 bindingdb
    The data in this table is sourced from UniChem at EBI.