Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C7H7N5O2/c1-14-7(13)5-4-12(11-9-5)6-2-3-8-10-6/h2-4H,1H3,(H,8,10)
SMILES COC(=O)c1nnn(c1)c1n[nH]cc1
InChI Key PWKBPRHBEDYORH-UHFFFAOYSA-N
Molecular Formula C7H7N5O2
Exact Mass 193.163 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PWKBPRHBEDYORH-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/PWKBPRHBEDYORH-UHFFFAOYSA-N/CHMO0000595
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • methyl 1-(1H-pyrazol-5-yl)triazole-4-carboxylate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10488014 pubchem
    The data in this table is sourced from UniChem at EBI.