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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: C25H22BrNO4
Canonical SMILES: COc1ccc(cc1)COC(=O)c1cc(Br)cc2c1ccn2Cc1ccc(cc1)OC
InChI: InChI=1S/C25H22BrNO4/c1-29-20-7-3-17(4-8-20)15-27-12-11-22-23(13-19(26)14-24(22)27)25(28)31-16-18-5-9-21(30-2)10-6-18/h3-14H,15-16H2,1-2H3
InChIKey: AQASDUWYMYHQGN-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2023-07-31
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Author: 
Niklas Krappel1
1. IBCS-FMS, Karlsruhe Institute of Technology, Germany
Analysis DOI:
Analysis ID:
Datasets