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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: C10H12BrN
Canonical SMILES: Brc1ccccc1N1CCCC1
InChI: InChI=1S/C10H12BrN/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8H2
InChIKey: RSEPYQZONPBLLQ-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2025-04-09
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Authors: 
Valentina Ferraro1 - Xuemin Gan1
1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany
Analysis DOI:
Analysis ID:
Datasets