Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H10ClN3/c15-13-14(16-10-6-2-1-3-7-10)18-12-9-5-4-8-11(12)17-13/h1-9H,(H,16,18)
SMILES Clc1nc2ccccc2nc1Nc1ccccc1
InChI Key JZQBLUNRSZUSHY-UHFFFAOYSA-N
Exact Mass 255.702 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JZQBLUNRSZUSHY-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/JZQBLUNRSZUSHY-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 3-chloro-N-phenylquinoxalin-2-amine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL4454578 chembl
    18323559 surechembl
    24217974 pubchem
    The data in this table is sourced from UniChem at EBI.