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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: C14H7F4NS
Canonical SMILES: Fc1ccc(cc1)c1nc2c(s1)ccc(c2)C(F)(F)F
InChI: InChI=1S/C14H7F4NS/c15-10-4-1-8(2-5-10)13-19-11-7-9(14(16,17)18)3-6-12(11)20-13/h1-7H
InChIKey: HVPGYAGVCOFPJH-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2021-10-05
correlation spectroscopy (COSY)
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