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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: C8H3BrN2O4
Canonical SMILES: O=C1NC(=O)c2c1cc([N+](=O)[O-])c(c2)Br
InChI: InChI=1S/C8H3BrN2O4/c9-5-1-3-4(2-6(5)11(14)15)8(13)10-7(3)12/h1-2H,(H,10,12,13)
InChIKey: YLGNUZYLLNKCPD-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2025-03-07
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Authors: 
Lukas Langer1 - Martin Nieger2,3
1. IOC, Karlsruhe Institute of Technology, Deutschland
2. University of Helsinki, Finland
3. Chemisty, University of Helsinki, Finland
Analysis DOI:
Analysis ID:
Datasets