Table 5.

Experimental and calculated ¹H NMR data.

∗Experiment ppm	Calculated ∗∗(TMS) ppm	% Error
7.41 [1H, d]	6.97	5.94
7.66 [1H, dt]	7.29	4.83
7.77 [1H, dt]	7.31	5.92
7.84 [1H, dt]	7.42	5.36
7.91 [1H, d]	7.55	4.55
8.00 [1H, d]	7.61	4.88
8.42 [1H, dd]	8.32	1.19
8.60 [1H, d]	8.49	1.27
Mean percentage error (% MPE)		4.08

^∗(Our lab.)

^∗∗Reference shielding δ value calculated by HF/6-31G, TMS = 32.60 ppm, information in square brackets = proton quantity and multiplicities.