Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H10N4O2/c1-23-17(22)11-4-2-10(3-5-11)16-20-14-6-12(8-18)13(9-19)7-15(14)21-16/h2-7H,1H3,(H,20,21)
SMILES COC(=O)c1ccc(cc1)c1nc2c([nH]1)cc(c(c2)C#N)C#N
InChI Key BLFQAPUPZTZFGB-UHFFFAOYSA-N
Molecular Formula C17H10N4O2
Exact Mass 302.287 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BLFQAPUPZTZFGB-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/BLFQAPUPZTZFGB-UHFFFAOYSA-N/CHMO0000595
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-07
Related Molecule
  • methyl 4-(5,6-dicyano-1H-benzimidazol-2-yl)benzoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172677580 pubchem
    The data in this table is sourced from UniChem at EBI.