Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H9N3O/c1-13-9-8(10)11-6-4-2-3-5-7(6)12-9/h2-5H,1H3,(H2,10,11)
SMILES COc1nc2ccccc2nc1N
InChI Key HWJVRFMEZDAPDV-UHFFFAOYSA-N
Exact Mass 175.187 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HWJVRFMEZDAPDV-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/HWJVRFMEZDAPDV-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 3-methoxyquinoxalin-2-amine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL4684319 SureChEMBL
    12231763 PubChem
    J1.420.444J Nikkaji
    The data in this table is sourced from UniChem at EBI.