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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: C9H10BrNO2
Canonical SMILES: CCOC(=O)c1ccc(c(c1)N)Br
InChI: InChI=1S/C9H10BrNO2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2,11H2,1H3
InChIKey: PPVXNRMIVXWQKP-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2024-08-30
heteronuclear single quantum coherence (HSQC)
Author: 
Simone Gräßle1,2
1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany
2. Institute of Biological and Chemical Systems - Functional Molecular Systems, Karlsruhe Institute of Technology, Germany
Analysis DOI:
Analysis ID:
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