Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C8H6Br2O/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2
SMILES BrCC(=O)c1cccc(c1)Br
InChI Key MZBXSQBQPJWECM-UHFFFAOYSA-N
Molecular Formula C8H6Br2O
Exact Mass 277.941 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MZBXSQBQPJWECM-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/MZBXSQBQPJWECM-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-24
Related Molecule
  • 2-bromo-1-(3-bromophenyl)ethanone
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    316026 surechembl
    519585 pubchem
    Molport-000-152-269 molport
    The data in this table is sourced from UniChem at EBI.