NMR spectral analysis of second-order 19F-19F, 19F-1H and 13C-19F coupling constants in pentafluorobenzene and tetrafluoro-4-(morpholino)pyridine using ANATOLIA by Mark Edgar, Fatemeh Zeinali, Mariam Mojally, Charlotte Hughes, Shahzad Riaz, George Weaver

“…A new and simple to use line-shape analysis method ANATOLIA (ANAlysis of TOtal LIneshApe) optimised all and 19F19F and 19F1H coupling constants in pentafluorobenzene (AA’BB’C’H) within 10 seconds. This free and open-source NMR analysis method, which works within the Bruker Topspin-4 software and can import Bruker/JEOL/Varian data, was able to accommodate grossly inaccurate input coupling constants to provide an accurate result even for the second-order interactions 4 JAA’ and 4 JBB’. …”
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