Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H9N3O2/c10-12-11-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)
SMILES OC(=O)C(N=[N+]=[N-])Cc1ccccc1
InChI Key DIFYSVZHVRAXAV-UHFFFAOYSA-N
Molecular Formula C9H9N3O2
Exact Mass 191.187 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DIFYSVZHVRAXAV-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
License URL
Source https://www.chemotion-repository.net/inchikey/DIFYSVZHVRAXAV-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
Version
Author Daniela Althuon
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-azido-3-phenylpropanoic acid
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13853189 surechembl
    12170845 pubchem
    Molport-051-959-200 molport
    The data in this table is sourced from UniChem at EBI.