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

Table 5.

1H chemical shift in ppm (observed and theoretical) of H-8, M-8, Br-8 and Cl-8.

Experimental
Theoretical
H-8 M-8 Br-8 Cl-8 H-8 M-8 Br-8 Cl-8
H (8) 7.96 7.92 7.96 7.97 10.18 10.26 9.99 10.06
H (7) 7.81 7.76 7.79 7.80 9.67 9.03 9.15 9.31
H (6) 7.70 7.67 7.72 7.73 9.53 9.25 9.26 9.66
H (5) 7.92 7.86 7.95 7.95 9.29 9.52 10.15 9.88
R-(3) 5.64 2.05 - 7.04 3.25 - -
NH 7.53 6.60 7.46 7.43 6.08 5.96 6.37 6.08
H(a) 0.83 0.82 0.82 0.83 1.85 1.84 1.88 1.81
H(b) 1.24 1.25 1.24 1.27 2.09 2.16 2.11 2.15
H(c) 1.24 1.25 1.24 1.27 2.18 2.20 2.34 2.12
H(d) 1.24 1.25 1.24 1.27 2.31 2.29 2.21 2.29
H(e) 1.24 1.25 1.24 1.27 2.38 2.39 2.36 2.29
H(f) 1.24 1.25 1.24 1.27 2.39 2.33 2.50 2.33
H(g) 1.56 1.54 1.58 1.59 2.73 2.66 2.64 2.46
H(h) 3.14 3.51 3.70 3.72 3.95 4.52 4.86 4.67

3.2.