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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: C10H11BrO3
Canonical SMILES: BrCC(=O)c1ccc(c(c1)OC)OC
InChI: InChI=1S/C10H11BrO3/c1-13-9-4-3-7(8(12)6-11)5-10(9)14-2/h3-5H,6H2,1-2H3
InChIKey: NUAIPKMBWNVQIM-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2024-08-15
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:
Datasets