Research Article

Transformation of Synthetic Allicin: The Influence of Ultrasound, Microwaves, Different Solvents and Temperatures, and the Products Isolation

Table 1

Spectral data for the components isolated from the mixture of allicin transformation products obtained under the effect of microwaves in methanol at 55°C.

Name and structure of compounds1H NMR (δ, ppm) 13C NMR (δ, ppm)FTIR (cm−1)MS (m/z)UV (nm)

561823.table.001a 6.38 (=CH–S–S, d)
5.9 (=CH–CH2, m)
5.4 (CH2=CH–CH2–SO, m)
5.2 (CH2=CH–CH2–S, m)
3.5 (–CH2-SO–CH2–, m)
3.36 (–S–S–CH2–, d)
41.5 (c)
53 (f)
54.5 (g) 117 (b) 119.5 (e) 123.8 (h) 126 (d) 132.5 (a) 135 (j)
3081 (w, C–H)
3000–2856 (s)
1636 (w)
1563 (w)
1435 (m)
1051 (s, CS(O)C)
234 (10), 145 (24), 111 (11), 103 (91), 73 (39), 68 (32), 45 (100), 41 (91) 244

561823.table.001b 6.56 (=CH–S–S, d)
5.8 (=CH–CH2, m)
5.4 (CH2=CH–CH2–SO, m)
5.2 (CH2=CH–CH2–S, m)
3.5 (–CH2–SO–CH2–, m)
3.38 (–S–S–CH2–, d)
42.1 (c)
50 (f)
55 (g) 118.2 (b) 119.5 (e) 124 (h) 126 (d) 132.5 (a) 138.5 (j)
3081 (w, C–H)
3000–2856 (s)
1636 (m)
1455 (m)
1402 (m)
1045 (s, CS(O)C)
926 (s)
234 (10), 145 (22), 111 (13), 103 (93), 73 (39), 68 (37), 45 (100), 41 (91) 235

561823.table.001c 6.31 (S–CH=C, d)
6.01 (–CH=, m)
3.35 (–CH2–, m)
4.51 (–CH–, m)
5.85 (–CH=, m)
5.36 (CH2=, d)
132.5 (a) 121.99 (f) 118 (e)
117.1 (b)
44.5 (d)
39.1 (c)
3081 (m, C–H)
3012 (m, C=CH)
2978 (m, C=CH2)
1634 (s, C=C)
982 (s)
917 (s)
144 (49),111 (75), 103 (31), 97 (48), 72 (25), 71 (60), 45 (100), 39 (20) 227

561823.table.001d 6.25 (S–CH=C, d)
5.9 (–CH=, m)
5.8 (–CH=, d)
5.37 (CH2=, d)
4.7 (S–CH–S, m)
3.37 (–CH2–S, d)
132.85 (a)
122.1 (f)
117.9 (e)
116.91 (b)
44.98 (d)
41 (c)
3081 (m, C–H)
3012 (m, C=CH)
2978 (m, C=CH2)
1634 (s, C=C)
982 (s)
917 (s)
144 (35), 111 (34), 103 (31), 72 (100), 71 (25), 45 (60), 39 (43) 232

561823.table.001e 3.1 (–CH=CH2, d)
5.15 (–CH2–CH=, d)
5.8 (CH2=CH–CH2–, m)
42 (c)
118 (a)
132 (b)
3081 (m, C–H)
3009 (m, C=CH)
2978 (m, C=CH2)
2905 (m)
1634 (s, C=C)
1423 (m)
1292 (m)
1214 (m)
721 (m)
146 (41), 113 (46), 105 (40), 81 (55), 79 (33), 45 (78), 41 (100), 39 (50) 200