Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C21H18BrN5O2/c1-2-29-21(28)18-13-26(12-15-8-10-17(22)11-9-15)24-20(18)27-14-19(23-25-27)16-6-4-3-5-7-16/h3-11,13-14H,2,12H2,1H3
SMILES CCOC(=O)c1cn(nc1n1nnc(c1)c1ccccc1)Cc1ccc(cc1)Br
InChI Key VTYPYIREEKHMKL-UHFFFAOYSA-N
Molecular Formula C21H18BrN5O2
Exact Mass 452.304 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VTYPYIREEKHMKL-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/VTYPYIREEKHMKL-UHFFFAOYSA-N/CHMO0000595
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • ethyl 1-[(4-bromophenyl)methyl]-3-(4-phenyltriazol-1-yl)pyrazole-4-carboxylate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.