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/C8H4BrNO2/c9-4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,(H,10,11,12)
SMILES Brc1ccc2c(c1)C(=O)NC2=O
InChI Key GNYICZVGHULCHE-UHFFFAOYSA-N
Molecular Formula C8H4BrNO2
Exact Mass 226.027 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GNYICZVGHULCHE-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/GNYICZVGHULCHE-UHFFFAOYSA-N/CHMO0001146
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-29
Related Molecule
  • 5-bromoisoindole-1,3-dione
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    383829 surechembl
    393320 surechembl
    236018 pubchem
    Molport-001-487-187 molport
    The data in this table is sourced from UniChem at EBI.