Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C4H5N5/c1-3-2-4(7-6-3)8-9-5/h2H,1H3,(H,6,7)
SMILES [N-]=[N+]=Nc1cc([nH]n1)C
InChI Key ASYITVIZQLPDSI-UHFFFAOYSA-N
Molecular Formula C4H5N5
Exact Mass 123.116 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ASYITVIZQLPDSI-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ASYITVIZQLPDSI-UHFFFAOYSA-N/CHMO0000595
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • 3-azido-5-methyl-1H-pyrazole
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    135590643 pubchem
    The data in this table is sourced from UniChem at EBI.