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. 2018 May 22;2018:1439810. doi: 10.1155/2018/1439810

Table 2.

Proton and carbon nuclear magnetic resonance spectral data of the molecules.

Assignment Proton chemical shift (ppm) Assignment Carbon chemical shift (ppm)
Experimental Theory Experimental Theory
1,3-Bis(2-hydroxyethyl) imidazolidinium bromide (L A)
s, 1H, NCHN 9.06 9.06 NCHN 136.33 137.66
d, 2H, HC=CH 7.70 7.32 HC=CH 122.60 123.06
t, 4H, N-CH2 3.93 4.01 O-CH2 59.75 61.68
t, 4H, O-CH2 3.82 3.87 N-CH2 51.98 52.59
s. 2H, OH 1.73

3-(2-Ethoxy-2-oxoethly)-1-(3-aminopropyl)-1H-imidazol-3-ium bromide (L B)
s, 1H, NCHN 7.79 7.73 CO 171.85 172.23
d, 1H, HC=CH 7.25 7.23 NCHN 136.78 137.10
d, 1H, HC=CH 7.02 7.00 HC=CH 125.13 124.74
s, 2H, N-CH2 CO 4.23 4.22 (2) HC=CH 120.73 121.34
q, 2H, CH 2-CH3 3.23 3.21 (3) O-CH2-CH3 60.78 57.36
t, 2H, N-CH 2-C 2.95 2.96 (3) N-CH2 54.97 54.10
t, 2H, NH2-CH 2 2.55 2.54 (2) N-CH2-CH2- 44.97 38.64
m, 2H, C-CH 2-C 2.20 2.18 (2) NH2-CH2- 36.84 36.61
t, 3H, CH3 2.02 2.04 (3) C-CH2-C 28.72 31.52
NH2 0.5 (3) CH3 13.64 17.70

1,3-Bis(2-carboxyethyl)-4-methyl-1H-imidazol-3-ium bromide (L C)
s, 1H, NCHN 8.84 8.83 COOH 173.03 170.3 (1)
s, 1H, HC=C-CH3 7.33 7.34 NCHN 133.30 132.96
s, OH 5.95 (2) C-CH3 129.94 130.93
t, 4H, N-CH2 3.64 3.62 (5) C=C-CH3 116.01 119.67
N-CH2 37.53 39.7 (9)
t, 4H, CH 2-COOH 2.91 3.10 (2) CH2-COOH 26.79 33.8 (5)
s, 3H, -CH3 2.38 2.37 CH3 9.01 10.26

3-(2-Carboxyethyl)-1-(3-aminopropyl)-1H-imidazol-3-ium bromide (L D)
s, 1H, NCHN 9.11 9.11 COOH 170.21 177.74
d, 1H, HC=CH 7.72 7.71 NCHN 137.16 137.47
d, 1H, HC=CH 7.65 7.63 HC=CH 123.94 124.97
s, OH 6.39 HC=CH 121.50 124.69
t, 4H, N-CH2 4.45 4.47 (1) N-CH2 60.01 60.29
t, 2H, COOH-C 3.33 3.34 N-CH2 52.02 53.30
t, 2H, NH2-CH2 3.05 3.03 NH2-CH2 45.42 45.41
m, 2H, C-CH 2-C 2.33 2.31 C-CH2-C 36.18 40.05
NH2 0.7 (3) COOH-CH2 27.76 34.43