Abstract

The formalism developed in a previous paper has been implemented in the computer program DAVINS. The theoretical insights gained from a variety of computer experiments are condensed into a few phenomenological rules characterizing the performance of DAVINS in practical applications. Specific experience is reported for 4 tightly coupled synthetic ABCD examples and for the experimental spectra of the aromatic proton [AB] 2C spin systems in 12 monosubstituted benzenes. Flexible and efficient procedures for dealing with ubiquitous technical problems such as automated data acquisition, data format conversion, baseline artifacts, transient phenomena, noise, and impurity signals are described. It is concluded that with the availability of DAVINS the rigorous analyses of complicated high-resolution NMR spectra need in the future only rarely engage the attention of the spectroscopic specialist; in many if not most instances such tasks can now be entrusted to technicians to be performed as a routine service.

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