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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: C18H16BrNO3
Canonical SMILES: COc1ccc(cc1)Cn1ccc2c1cc(Br)cc2C(=O)OC
InChI: InChI=1S/C18H16BrNO3/c1-22-14-5-3-12(4-6-14)11-20-8-7-15-16(18(21)23-2)9-13(19)10-17(15)20/h3-10H,11H2,1-2H3
InChIKey: NSLHWLLKHINCSE-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2023-07-31
1H--1H correlation spectroscopy (1H-1H COSY)
Author: 
Niklas Krappel1
1. IBCS-FMS, Karlsruhe Institute of Technology, Germany
Analysis DOI:
Analysis ID:
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