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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: C6H6BrNO
Canonical SMILES: Brc1ccc(c(c1)N)O
InChI: InChI=1S/C6H6BrNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
InChIKey: JHRIPENGTGSNPJ-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2024-08-09
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Author: Grace Hunt1
1. Newcastle University, United Kingdom
Analysis DOI:
Analysis ID:
Datasets