Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H12BrN5O2/c1-22-14(21)12-9-20(18-16-12)13-6-7-19(17-13)8-10-2-4-11(15)5-3-10/h2-7,9H,8H2,1H3
SMILES COC(=O)c1nnn(c1)c1ccn(n1)Cc1ccc(cc1)Br
InChI Key CNHRLRYEDLASIW-UHFFFAOYSA-N
Molecular Formula C14H12BrN5O2
Exact Mass 362.181 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CNHRLRYEDLASIW-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/CNHRLRYEDLASIW-UHFFFAOYSA-N/CHMO0000595
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • methyl 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]triazole-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.