Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C21H16N6O2/c1-29-21(28)17-9-7-15(8-10-17)12-26-13-18(11-22)20(24-26)27-14-19(23-25-27)16-5-3-2-4-6-16/h2-10,13-14H,12H2,1H3
SMILES COC(=O)c1ccc(cc1)Cn1cc(c(n1)n1nnc(c1)c1ccccc1)C#N
InChI Key YZSLXIHSIJQQMB-UHFFFAOYSA-N
Molecular Formula C21H16N6O2
Exact Mass 384.391 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YZSLXIHSIJQQMB-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/YZSLXIHSIJQQMB-UHFFFAOYSA-N/CHMO0000593
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • methyl 4-[[4-cyano-3-(4-phenyltriazol-1-yl)pyrazol-1-yl]methyl]benzoate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.