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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: C9H6BrNO2
Canonical SMILES: Brc1cc(C(=O)O)c2c(c1)[nH]cc2
InChI: InChI=1S/C9H6BrNO2/c10-5-3-7(9(12)13)6-1-2-11-8(6)4-5/h1-4,11H,(H,12,13)
InChIKey: LIXZNRVUWPYCNC-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:
Datasets