Dehydrodiisoeugenol (C20 H22 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 326.38628
This is of the category: b-5 Dimers
Concentration: 300 mg/ml (Source: John Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | G | 17.60 | 1 |
| C1 | BG | 18.34 | 1 |
| C12 | B | 45.62 | 1 |
| C3 | OMe | 55.97 | 1 |
| C4 | OMe | 55.97 | 1 |
| C19 | A | 93.76 | 1 |
| C11 | A2 | 108.97 | 1 |
| C10 | B2 | 109.40 | 1 |
| C8 | A5 | 113.36 | 1 |
| C9 | B6 | 114.14 | 1 |
| C7 | A6 | 119.91 | 1 |
| C5 | BB | 123.41 | 1 |
| C6 | BA | 130.98 | 1 |
| C14 | A1 | 132.11 | 1 |
| C15 | B5 | 132.22 | 1 |
| C13 | B1 | 133.30 | 1 |
| C20 | B4 | 144.15 | 1 |
| C16 | A4 | 145.82 | 1 |
| C18 | B3 | 146.62 | 1 |
| C17 | A3 | 146.71 | 1 |
| H30 | G | 1.37 | 1 |
| H29 | G | 1.37 | 1 |
| H28 | G | 1.37 | 1 |
| H25 | BG | 1.87 | 1 |
| H26 | BG | 1.87 | 1 |
| H27 | BG | 1.87 | 1 |
| H44 | B | 3.44 | 1 |
| H31 | OMe | 3.85 | 4 |
| H32 | OMe | 3.85 | 4 |
| H33 | OMe | 3.85 | 4 |
| H34 | OMe | 3.88 | 4 |
| H35 | OMe | 3.88 | 4 |
| H36 | OMe | 3.88 | 4 |
| H45 | A | 5.09 | 1 |
| H37 | BB | 6.11 | 1 |
| H38 | BA | 6.36 | 1 |
| H42 | B2 | 6.76 | 1 |
| H41 | B6 | 6.78 | 1 |
| H40 | A5 | 6.88 | 1 |
| H39 | A6 | 6.80 | 1 |
| H43 | A2 | 6.97 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | G | 17.86 | 1 |
| C1 | BG | 18.42 | 1 |
| C12 | B | 46.21 | 1 |
| C3 | OMe | 56.25 | 4 |
| C4 | OMe | 56.33 | 4 |
| C19 | A | 93.96 | 1 |
| C11 | A2 | 110.66 | 1 |
| C10 | B2 | 111.06 | 1 |
| C8 | A5 | 114.30 | 1 |
| C9 | B6 | 115.55 | 1 |
| C7 | A6 | 120.21 | 1 |
| C5 | BB | 123.22 | 1 |
| C6 | BA | 132.05 | 1 |
| C14 | A1 | 132.81 | 1 |
| C15 | B5 | 132.83 | 1 |
| C13 | B1 | 134.43 | 1 |
| C20 | B4 | 145.03 | 1 |
| C16 | A4 | 147.53 | 1 |
| C18 | B3 | 147.72 | 1 |
| C17 | A3 | 148.36 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | G | 17.25 | 1 |
| C1 | BG | 18.06 | 1 |
| C12 | B | 44.51 | 1 |
| C3 | OMe | 55.59 | 4 |
| C4 | OMe | 55.61 | 4 |
| C19 | A | 92.55 | 1 |
| C11 | A2 | 109.74 | 1 |
| C10 | B2 | 110.58 | 1 |
| C8 | A5 | 113.29 | 1 |
| C9 | B6 | 115.23 | 1 |
| C7 | A6 | 119.25 | 1 |
| C5 | BB | 122.60 | 1 |
| C6 | BA | 130.68 | 1 |
| C14 | A1 | 130.93 | 1 |
| C15 | B5 | 131.39 | 1 |
| C13 | B1 | 133.30 | 1 |
| C20 | B4 | 143.61 | 1 |
| C16 | A4 | 146.07 | 1 |
| C18 | B3 | 146.71 | 1 |
| C17 | A3 | 147.59 | 1 |