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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: C8H7BrO
Canonical SMILES: Brc1cccc(c1)C(=O)C
InChI: InChI=1S/C8H7BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
InChIKey: JYAQYXOVOHJRCS-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2024-09-12
heteronuclear multiple bond coherence (HMBC)
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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