We therefore must know the equation terms shown in blue, and the terms in purple will be derived from the NMR data.įrom the spectrum, below, we need the purple terms in the equation for a minimum of one analyte multiplet. MW is the molecular weight (or, more correctly, the molar mass in g/mol), and M is the weighed mass of material (g). AI is the absolute integral for a signal or set of signal, and NN in the corresponding number of nuclides. Subscripts i and r relate to the test analyte and reference compound, respectively. The well-known equation we must use is simply this 1: The calculation is simple and can be done using a pocket calculator! There are ways to simplify and make the process more robust, and I will briefly discuss an Mnova script that you may wish to use for the talk. The final step now is to extract relevant integral data from the spectra, and calculate the purity. In the preceding articles on qNMR we discussed the ways to ensure your NMR data will yield the most accurate peak integral data, and therefore the most accurate Purity determination.
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