Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C7H7Br2N/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4-5H2
SMILES BrCc1cccc(n1)CBr
InChI Key QUTSYCOAZVHGGT-UHFFFAOYSA-N
Molecular Formula C7H7Br2N
Exact Mass 264.945 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QUTSYCOAZVHGGT-UHFFFAOYSA-N/CHMO0000601.1
License URL
Source https://www.chemotion-repository.net/inchikey/QUTSYCOAZVHGGT-UHFFFAOYSA-N/CHMO0000601.1
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-20
Related Molecule
  • 2,6-bis(bromomethyl)pyridine
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-9596280251 Mcule
    603610 PubChem
    505158 eMolecules
    SCHEMBL245158 SureChEMBL
    15949914 PubChem: Thomson Pharma
    DTXSID70345314 EPA CompTox Dashboard
    RIPPUD CCDC
    ZINC000002556953 ZINC
    J752.400E Nikkaji
    CB7192135 ChemicalBook
    The data in this table is sourced from UniChem at EBI.