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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: C7H9BrN2
Canonical SMILES: CN(c1cccnc1Br)C
InChI: InChI=1S/C7H9BrN2/c1-10(2)6-4-3-5-9-7(6)8/h3-5H,1-2H3
InChIKey: QJRNAKLIZGEADV-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