2-(4-Acetyl-2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)ethanone (C21 H24 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 404.41046
This is of the category: b-O-4 Dimers, 2-Carbon Sidechain
Concentration: Saturated (Source: Larry L. Landucci)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 26.43 | 1 |
| C2 | A3OMe | 56.33 | 1 |
| C3 | A5OMe | 56.33 | 1 |
| C4 | B3OMe | 56.33 | 1 |
| C5 | B5OMe | 56.33 | 1 |
| C6 | A4OMe | 60.94 | 1 |
| C11 | B | 74.82 | 1 |
| C9 | A2 | 105.87 | 1 |
| C10 | A6 | 105.87 | 1 |
| C7 | B2 | 105.87 | 1 |
| C8 | B6 | 105.87 | 1 |
| C14 | A1 | 129.99 | 1 |
| C13 | B1 | 132.67 | 1 |
| C21 | B4 | 140.75 | 1 |
| C20 | A4 | 142.94 | 1 |
| C18 | B3 | 152.53 | 1 |
| C19 | B5 | 152.53 | 1 |
| C16 | A3 | 153.12 | 1 |
| C17 | A5 | 153.12 | 1 |
| C15 | A | 193.28 | 1 |
| C12 | BA | 196.71 | 1 |
| H32 | BB | 2.59 | 1 |
| H31 | BB | 2.59 | 1 |
| H30 | BB | 2.59 | 1 |
| H33 | A3OMe | 3.92 | 1 |
| H34 | A3OMe | 3.92 | 1 |
| H35 | A3OMe | 3.92 | 1 |
| H36 | A5OMe | 3.92 | 1 |
| H37 | A5OMe | 3.92 | 1 |
| H38 | A5OMe | 3.92 | 1 |
| H39 | B3OMe | 3.88 | 1 |
| H41 | B3OMe | 3.88 | 1 |
| H40 | B3OMe | 3.88 | 1 |
| H43 | B5OMe | 3.88 | 1 |
| H42 | B5OMe | 3.88 | 1 |
| H44 | B5OMe | 3.88 | 1 |
| H45 | A4OMe | 3.91 | 1 |
| H47 | A4OMe | 3.91 | 1 |
| H46 | A4OMe | 3.91 | 1 |
| H52 | B | 5.29 | 1 |
| H53 | B | 5.29 | 1 |
| H50 | A2 | 7.31 | 1 |
| H51 | A6 | 7.31 | 1 |
| H48 | B2 | 7.22 | 1 |
| H49 | B6 | 7.22 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 26.55 | 1 |
| C2 | A3OMe | 56.61 | 1 |
| C3 | A5OMe | 56.61 | 1 |
| C4 | B3OMe | 56.66 | 1 |
| C5 | B5OMe | 56.66 | 1 |
| C6 | A4OMe | 60.67 | 1 |
| C11 | B | 75.43 | 1 |
| C9 | A2 | 106.81 | 1 |
| C10 | A6 | 106.81 | 1 |
| C7 | B2 | 106.95 | 1 |
| C8 | B6 | 106.95 | 1 |
| C14 | A1 | 131.21 | 1 |
| C13 | B1 | 133.62 | 1 |
| C21 | B4 | 141.68 | 1 |
| C20 | A4 | 143.88 | 1 |
| C18 | B3 | 153.61 | 1 |
| C19 | B5 | 153.61 | 1 |
| C16 | A3 | 154.23 | 1 |
| C17 | A5 | 154.23 | 1 |
| C15 | A | 193.81 | 1 |
| C12 | BA | 196.70 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 26.52 | 1 |
| C2 | A3OMe | 56.04 | 1 |
| C3 | A5OMe | 56.04 | 1 |
| C4 | B3OMe | 56.09 | 1 |
| C5 | B5OMe | 56.09 | 1 |
| C6 | A4OMe | 60.08 | 1 |
| C11 | B | 74.15 | 1 |
| C9 | A2 | 105.52 | 1 |
| C10 | A6 | 105.52 | 1 |
| C7 | B2 | 105.84 | 1 |
| C8 | B6 | 105.84 | 1 |
| C14 | A1 | 129.69 | 1 |
| C13 | B1 | 132.05 | 1 |
| C21 | B4 | 140.24 | 1 |
| C20 | A4 | 142.15 | 1 |
| C18 | B3 | 152.04 | 1 |
| C19 | B5 | 152.04 | 1 |
| C16 | A3 | 152.80 | 1 |
| C17 | A5 | 152.80 | 1 |
| C15 | A | 193.11 | 1 |
| C12 | BA | 196.61 | 1 |