Table 5 The calculated and experimental 1H and 13C NMR chemical shifts of thiazolidinone 6
Atom | C. Scalc. | C. Sexp. | Atom | C. Scalc. | C. Sexp. |
|---|---|---|---|---|---|
C4 | 149.2 | 166.9 | H11 | 4.94 | 5.23 |
C6 | 84.5 | 91.2 | H14 | 4.25 | 4.19 |
C9 | 152.6 | 167.5 | H15 | 4.29 | 4.21 |
C10 | 75.3 | 67.5 | H17 | 1.41 | 1.23 |
C12 | 153.7 | 177.4 | H18 | 1.23 | 1.24 |
C13 | 52.7 | 60.9 | H19 | 1.42 | 1.26 |
C16 | 6.9 | 14.3 | H21 | 7.44 | 7.24 |
C20 | 130.5 | 162.4 | H23 | 3.78 | 2.90 |
C22 | 29.7 | 36.4 | H24 | 2.75 | 2.92 |
C26 | 37.8 | 37.4 | H25 | 3.46 | 2.93 |
C30 | 126.2 | 154.2 | H27 | 3.13 | 2.83 |
C31 | 116.8 | 130.9 | H28 | 3.45 | 2.84 |
C33 | 117.1 | 127.3 | H29 | 3.19 | 2.86 |
C35 | 116.7 | 137.5 | H32 | 7.61 | 7.53 |
C37 | 117.3 | 129.7 | H34 | 7.89 | 7.52 |
C39 | 117.6 | 114.8 | H36 | 7.88 | 7.46 |
H38 | 7.91 | 7.50 | |||
H40 | 7.60 | 7.96 |