| | 1H NMR theoretical | 1H NMR experimental | 13C NMR theoretical | 13C NMR experimental |
| β-Diketimine 1 | Benzene ring | 7.41–8.2 | 7.38–8.07 | 1C | 168 | 166.3 | 43H, 44H, 50H, 51H | 4.5 | 4.3 | 3C | 169 | 166.3 | 4H, 55H | 3.6 | 3.1 | 2C | 42 | 38.5 | (45H, 46H, 47H, 52H, 53H, 54H) | 1.35–1.45 | 1.34 | 35C & 37C | 158 | 156 | | | | 7C & 17C | 155 | 153 | (28H, 29H, 30H, 32H, 33H, 34H) | 1.94–2.3 | 1.99–2.1 | 14C & 24C | 129 | 128 | | | | Benzene ring | 121–130 | 122–132 | | | | 41C & 48C | 63 | 61 | | | | 42C & 49C | 19 | 16 | | | | 27C & 31C | 26 | 24 |
| β-Diketimine tautomer of 1 | 55H | 12.3 | 12.61 | 1C | 152 | 153.6 | Benzene rings | 7.42–8.4 | 7.38–8.07 | 3C | 168 | 166.3 | 4H | 5.1 | 4.95 | 2C | 69 | 61 | (43H, 44H, 50H, 51H) | 4.6 | 4.3 | 17C | 147 | 143 | | | | 7C | 158 | 153 | (45H, 46H, 47H, 52H, 53H, 54H) | 1.34–1.45 | 1.34 | 35C & 37C | 158 | 156 | | | | Benzene rings | 123–133 | 122–135 | | 1.96–2.2 | 1.99–2.2 | 41C & 48C | 65 | 61 | (28H, 29H, 30H, 32H, 33H, 34H) | | | 27C & 31C | 26 | 24 | | | | 42C & 49C | 18 | 16 |
| Ni(II) β-diketimine 2 | Benzene rings | 7.1–8.7 | 7.25–8.4 | 9C | 24.1 | 25 | (52H, 53H, 59H, 60H) | 4.45 | 4.8 | 51C & 58C | 22 | 20 | 4H | 5.3 | 5.2 | 16C & 20C | 27 | 25 | 11H, 12H | 3.85 | 4.15 | 10C | 70 | 71 | 6 methyl groups | 1.25–2.65 | 1.24–2.52 | 50C & 57C | 67.8 | 63 | 65H | 3.16 | 3.51 | 2C | 72 | 71 | 13H, 14H, 15H | 1.11 | 1.1 | 24C & 34C | 155 | 153 | | | | Benzene rings | 124–135 | 125–137 | | | | 1C & 3C | 172 | 169 | | | | 44C & 47C | 161 | 158 |
| Zn(II) β-diketimine 3 | Benzene rings | 7.2–8.5 | 7.3–8.2 | 60C | 23.5 | 24 | (45H, 46H, 52H, 53H) | 4.6 | 4.72 | 44C & 51C | 20 | 18 | 4H | 5.2 | 5.1 | 28C & 32C | 28 | 24 | 61H, 62H | 3.9 | 4.1 | 59C | 69 | 70 | 6 methyl groups | 1.2–2.7 | 1.23–2.5 | 43C & 50C | 68.3 | 61 | 58H | 3.2 | 3.45 | 2C | 70 | 72 | 63H, 64H, 65H | 1.14 | 1.1 | 8C & 18C | 156 | 154 | | | | Benzene rings | 123–133 | 124–135 | | | | 1C & 3C | 170 | 168 | | | | 37C & 39C | 159 | 157 |
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