Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

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/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/DWCGNRKFLRLWCJ-UHFFFAOYSA-N/CHMO0001146
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 single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    258418 surechembl
    29634588 surechembl
    91353 pubchem
    DTXSID8067070 comptox
    Molport-000-151-938 molport
    152502 bindingdb
    The data in this table is sourced from UniChem at EBI.