Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H8Br2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3
SMILES COc1cc(Br)c(cc1OC)Br
InChI Key ZYCLQXMMFJREPJ-UHFFFAOYSA-N
Molecular Formula C8H8Br2O2
Exact Mass 295.956 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZYCLQXMMFJREPJ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ZYCLQXMMFJREPJ-UHFFFAOYSA-N/CHMO0000593
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-07
Related Molecule
  • 1,2-dibromo-4,5-dimethoxybenzene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID40191325 EPA CompTox Dashboard
    J261.264J Nikkaji
    NOJJUS CCDC
    D9DU4YZ2JF FDA SRS
    2758033 PubChem
    SCHEMBL369991 SureChEMBL
    37895-73-1 ACToR
    16939009 PubChem: Thomson Pharma
    888740 eMolecules
    CB4303495 ChemicalBook
    ZINC000000399965 ZINC
    MCULE-1086709999 Mcule
    The data in this table is sourced from UniChem at EBI.