Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C9H7N5/c1-6-9-11-12-13-14(9)8-5-3-2-4-7(8)10-6/h2-5H,1H3
SMILES Cc1nc2ccccc2n2c1nnn2
InChI Key BVEPTXWZDNARLY-UHFFFAOYSA-N
Molecular Formula C9H7N5
Exact Mass 185.185 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BVEPTXWZDNARLY-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/BVEPTXWZDNARLY-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • 4-methyltetrazolo[1,5-a]quinoxaline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12933136 PubChem
    MCULE-5338655028 Mcule
    ZINC000015869026 ZINC
    DTXSID50513317 EPA CompTox Dashboard
    74370786 PubChem: Thomson Pharma
    SCHEMBL11870722 SureChEMBL
    The data in this table is sourced from UniChem at EBI.