Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H6ClN3/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,10,12)
SMILES Nc1nc2ccccc2nc1Cl
InChI Key NOFJFBHOKPHILH-UHFFFAOYSA-N
Molecular Formula C8H6ClN3
Exact Mass 179.606 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NOFJFBHOKPHILH-UHFFFAOYSA-N/CHMO0000595.1
License URL
Source https://www.chemotion-repository.net/inchikey/NOFJFBHOKPHILH-UHFFFAOYSA-N/CHMO0000595.1
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-11-12
Related Molecule
  • 3-chloroquinoxalin-2-amine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    121118 surechembl
    16065979 surechembl
    817274 pubchem
    DTXSID20355781 comptox
    Molport-000-514-063 molport
    The data in this table is sourced from UniChem at EBI.