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This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.
Formula: C8H6Br2O3
Canonical SMILES: CC(=O)c1c(O)c(Br)cc(c1O)Br
InChI: InChI=1S/C8H6Br2O3/c1-3(11)6-7(12)4(9)2-5(10)8(6)13/h2,12-13H,1H3
InChIKey: GHPWLLSLLWHDPT-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2024-08-30
heteronuclear single quantum coherence (HSQC)
Author: 
Simone Gräßle1,2
1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany
2. Institute of Biological and Chemical Systems - Functional Molecular Systems, Karlsruhe Institute of Technology, Germany
Analysis DOI:
Analysis ID:
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