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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: C8H7BrO3
Canonical SMILES: BrCC(=O)c1c(O)cccc1O
InChI: InChI=1S/C8H7BrO3/c9-4-7(12)8-5(10)2-1-3-6(8)11/h1-3,10-11H,4H2
InChIKey: NDRBKOJQTCWMGZ-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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