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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: C6H4ClF3N2
Canonical SMILES: Nc1ncc(cc1Cl)C(F)(F)F
InChI: InChI=1S/C6H4ClF3N2/c7-4-1-3(6(8,9)10)2-12-5(4)11/h1-2H,(H2,11,12)
InChIKey: WXNPZQIRDCDLJD-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2025-01-08
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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