Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H6BrN3/c9-7-2-3-8(10-6-7)12-5-1-4-11-12/h1-6H
SMILES Brc1ccc(nc1)n1cccn1
InChI Key AAZVSSMAJOIOOI-UHFFFAOYSA-N
Molecular Formula C8H6BrN3
Exact Mass 224.057 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AAZVSSMAJOIOOI-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/AAZVSSMAJOIOOI-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-02-07
Related Molecule
  • 5-bromo-2-pyrazol-1-ylpyridine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID60627136 EPA CompTox Dashboard
    CB01263097 ChemicalBook
    ZINC000015021232 ZINC
    SCHEMBL2067481 SureChEMBL
    22631144 PubChem
    17266248 eMolecules
    The data in this table is sourced from UniChem at EBI.