Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H10N4/c1-2-6-11-10(5-1)16-9-14(17-11)15-18-12-7-3-4-8-13(12)19-15/h1-9H,(H,18,19)
SMILES c1ccc2c(c1)nc(cn2)c1nc2c([nH]1)cccc2
InChI Key AYFBMQMYJRNGIM-UHFFFAOYSA-N
Exact Mass 246.267 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AYFBMQMYJRNGIM-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/AYFBMQMYJRNGIM-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 2-(1H-benzimidazol-2-yl)quinoxaline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL200636 chembl
    31061411 surechembl
    11658819 pubchem
    PD179669 probes_and_drugs
    21215 bindingdb
    The data in this table is sourced from UniChem at EBI.