Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C6H5Br2N/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H3
SMILES Cc1cc(Br)nc(c1)Br
InChI Key OHBIPNNTWKNAGC-UHFFFAOYSA-N
Molecular Formula C6H5Br2N
Exact Mass 250.919 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OHBIPNNTWKNAGC-UHFFFAOYSA-N/CHMO0000601.1
License URL
Source https://www.chemotion-repository.net/inchikey/OHBIPNNTWKNAGC-UHFFFAOYSA-N/CHMO0000601.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-08
Related Molecule
  • 2,6-dibromo-4-methylpyridine
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID00461319 EPA CompTox Dashboard
    ZINC000034445745 ZINC
    CB32129771 ChemicalBook
    36788005 eMolecules
    16375503 PubChem: Thomson Pharma
    73112-16-0 ACToR
    SCHEMBL1821173 SureChEMBL
    11288174 PubChem
    The data in this table is sourced from UniChem at EBI.