Chemical shifts dioxiranes

S = 103 ppm, which is in excellent agreement with the chemical shifts found earlier in other dioxiranes such as lb, Ic, and Id. The experimental H, and NMR spectra are in good agreement with calculated (sum-over-states density-functional perturbation theory, SOS-DFPT) chemical shifts. The oxygen nuclei in 4 are somewhat more shielded in the NMR spectrum (5 = 321 ppm) than those in DMDO lb. 

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