Skip to main content
. 2021 Jan 28;7(1):e06044. doi: 10.1016/j.heliyon.2021.e06044

Table 4.

1H chemical shift in ppm (observed and theoretical) of H-4, M-4, Br-4 and Cl-4.

Experimental
Theoretical
H-4 M-4 Br-4 Cl-4 H-4 M-4 Br-4 Cl-4
H (8) 7.90 7.86 7.97 7.88 10.05 10.12 10.08 10.22
H (7) 7.76 7.74 7.80 7.66 9.60 9.32 9.37 9.42
H (6) 7.65 7.65 7.73 7.53 9.42 9.57 9.48 9.56
H (5) 7.89 7.88 7.95 7.77 9.55 9.58 9.70 6.67
R-(3) 5.64 2.06 - 7.01 3.31
NH 7.50 6.49 7.42 7.80 6.03 5.83 6.28 6.25
H(a) 0.88 0.84 0.89 0.86 2.05 1.93 2.07 2.07
H(b) 1.33 1.27 1.33 1.32 2.28 2.21 2.37 2.30
H(g) 1.54 1.48 1.59 1.52 2.62 2.51 2.38 2.50
H(h) 3.15 3.45 3.74 2.79 3.88 4.25 4.79 4.82

3.2.