 A free and simple use NMR analysis program to extract coupling constants from complicated NMR multiplets.  Applied to pentafluorobenzene 1 H and 19 F spectra which yielded accurate analyses in just a few seconds.  For the first time, used to analyse the 19 F spectra, 13 C and 19 F-13 C-satellite spectra of tetrafluoro-4-(morpholino)pyridine  The complicated 13 C and 19 F-13 C-satellite spectra were analysed within a few minutes.  Excellent results are obtained even when the input date is inaccurate.  Gaussian-03 derived coupling constants are a reasonable estimate to start analysis.

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A simple to use nuclear magnetic resonance analysis method has been tested on complex 1 H, 19 F, and 13 C multiplets. This open-source line-shape analysis method analysis of total lineshape (ANATOLIA) 1 provides some significant advantages over traditional assign-iterate methods of NMR spectral analysis by avoiding false minima and progressing optimisation to the global minimum. The target molecules are 1-perfluorotol-4-yl-2-perfluorotol-4-yl-oxymethyl-1Hbenzimidazole (molecule-I) and 1-tetrafluoropyrid-4-yl-2-tetrafluoropyrid-4-ylthio-1H-benzimidazole (molecule-II) which were produced as part of a family of fluorinated drug scaffolds prepared for anticancer and antiparasitic screening. Spectra display significant second-order effects with 1 H Δδ = 3.68 and 4.67 Hz for the aromatic hydrogen "triplets", with 19 F 4 J AA' , 4 J BB' , 4 J XX' , and 4 J YY' coupling constants range from +4.8 to −14.0 Hz and for 13 C-isotopomers 19 F Δδ of up to 111.56 Hz.