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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: C8H5BrN2
Canonical SMILES: Brc1cnc2c(n1)cccc2
InChI: InChI=1S/C8H5BrN2/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H
InChIKey: XVKLMYQMVPHUPN-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2021-07-03
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Author: 
Laura Holzhauer1
1. Institute of Biological and Chemical Systems, Karlsruhe Institute of Technology, Germany
Analysis DOI:
Analysis ID:
Datasets