tacit assumption was made that the position, intensity, and splitting pattern of the peaks in each component spectrum were not correlated. In this case, the probability of peak overlap is lower and errors in predicted chemical shift are well tolerated, as indicated by the similar MAEs for simulated chemical shift errors between 0.01 and 0.4 ppm. However, the spectra of unique but structurally similar compounds can have similar NMR parameters and splitting patterns. To determine the applicability of our workflow to experimental data, we tested it on crude experimental spectra derived from real reaction mixtures. We considered the most difficult test and most useful application of this technology to be the analysis of reaction selectivity. The reactions presented herein were chosen because they form a mixture of products with similar structures and, thus, pose a difficult challenge for analysis. These examples evaluate the performance of the model in its intended applications, such as the analysis of selectivity of reactions that can form one or more constitutional isomers.