Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

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/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/AAZVSSMAJOIOOI-UHFFFAOYSA-N/CHMO0000601
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 heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2067481 surechembl
    22631144 pubchem
    Molport-001-758-256 molport
    The data in this table is sourced from UniChem at EBI.