Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C20H19N5O/c1-15-12-20(22-24(15)13-16-6-4-3-5-7-16)25-14-19(21-23-25)17-8-10-18(26-2)11-9-17/h3-12,14H,13H2,1-2H3
SMILES COc1ccc(cc1)c1nnn(c1)c1nn(c(c1)C)Cc1ccccc1
InChI Key HKYHACNKJZVDCN-UHFFFAOYSA-N
Molecular Formula C20H19N5O
Exact Mass 345.398 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HKYHACNKJZVDCN-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/HKYHACNKJZVDCN-UHFFFAOYSA-N/CHMO0000593
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • 1-(1-benzyl-5-methylpyrazol-3-yl)-4-(4-methoxyphenyl)triazole
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.