Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H9N5/c1-6-9-11-12-13-14(9)8-5-3-2-4-7(8)10-6/h2-6,10H,1H3
SMILES CC1Nc2ccccc2-n2c1nnn2
InChI Key MSARKGVVMSEUQD-UHFFFAOYSA-N
Exact Mass 187.201 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MSARKGVVMSEUQD-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/MSARKGVVMSEUQD-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 4-methyl-4,5-dihydrotetrazolo[1,5-a]quinoxaline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11845010 surechembl
    21514054 pubchem
    The data in this table is sourced from UniChem at EBI.