(S) - (−)- carvone salicylhydrazone | (R) - (+)- carvone salicylhydrazone | ||||||
δ (ppm) | EXP (ppm) [9] | 6-311G (d, p) | δ (ppm) | EXP (ppm) [9] | 6-311G (d, p) | ||
B3LYP | M05-2X | B3LYP | M05-2X | ||||
C18 | 20.45 | 18.78 | 08.67 | C20 | 162.85 | 161.92 | 169.85 |
C22 | 148.00 | 19.87 | 09.23 | C27 | 152.78 | 154.54 | 159.99 |
C7 | 29.10 | 26.68 | 17.79 | C2 | 20.44 | 38.12 | 169.85 |
C3 | 148.52 | 132.40 | 166.87 | C3 | 20.45 | 34.54 | 24.41 |
C2 | 147.17 | 139.01 | 30.29 | C35 | 31.73 | 68.80 | 59.20 |
C1 | 107.20 | 47.00 | 158.39 | C32 | 29.47 | 136.89 | 145.56 |
C26 | 163.15 | 148.04 | 35.43 | C24 | 148.52 | 150.17 | 158.06 |
C21 | 36.16 | 49.83 | 38.58 | C7 | 40.10 | 166.00 | 159.99 |
C20 | 31.75 | 54.46 | 48.46 | C8 | 16.77 | 20.95 | 13.43 |
C23 | 40.10 | 60.16 | 53.01 | C9 | 33.16 | 161.60 | 39.73 |
C25 | 33.16 | 64.95 | 55.63 | C10 | 40.10 | 48.40 | 44.92 |
C8 | 40.70 | 70.11 | 58.41 | C11 | 33.87 | 50.10 | 40.28 |
- | - | - | - | C12 | 32.28 | 20.66 | 12.91 |
- | - | - | - | C13 | 119.59 | 60.46 | 51.87 |
- | - | - | - | C15 | 48.67 | 65.87 | 58.30 |
- | - | - | - | C16 | 53.99 | 48.22 | 37.19 |
- | - | - | - | C34 | 17.68 | 20.63 | 09.62 |