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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: C8H7Br3
Canonical SMILES: BrCc1ccc(c(c1)Br)CBr
InChI: InChI=1S/C8H7Br3/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3H,4-5H2
InChIKey: QOTLBTLQTHPRIW-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2024-05-21
correlation spectroscopy (COSY)
Author: 
Tilman Hans Köhler1
1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany
Analysis DOI:
Analysis ID:
Datasets