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Multiplet structure deconvolution provides a robust method to determine the values of the coupling constants in first-order 1D NMR spectra. Functions simplifying the coupling structure for any spins and for doublet with unequal amplitudes were introduced. The chemical shifts of the coupling partners causing mild second-order effects can, in favourable cases, be calculated from the slopes measured in doublet structures. Illustrations demonstrate that deconvolution can straightforwardly analyse multiplet posing difficulties to humans and, in some cases, extract coupling constants from unresolved multiplets. |
