Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C8H9BrO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3
SMILES COc1ccc(c(c1)Br)OC
InChI Key DWCGNRKFLRLWCJ-UHFFFAOYSA-N
Molecular Formula C8H9BrO2
Exact Mass 217.060 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DWCGNRKFLRLWCJ-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/DWCGNRKFLRLWCJ-UHFFFAOYSA-N/CHMO0001148
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-06
Related Molecule
  • 2-bromo-1,4-dimethoxybenzene
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    20207408 NMRShiftDB
    CB1444821 ChemicalBook
    J236.103E Nikkaji
    DTXSID8067070 EPA CompTox Dashboard
    ZINC000000056597 ZINC
    152502 BindingDB
    15912245 PubChem: Thomson Pharma
    25245-34-5 ACToR
    91353 PubChem
    492108 eMolecules
    MCULE-6811337216 Mcule
    SCHEMBL258418 SureChEMBL
    The data in this table is sourced from UniChem at EBI.