2-(3,4-Dimethoxyphenyl)-7-methoxy-3-methyl-5-propyl-2,3-dihydrobenzofuran (C21 H26 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 342.42874
This is of the category: b-5 Dimers
Concentration: Saturated (Source: John R. Obst)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BG | 13.90 | 1 |
| C2 | G | 17.47 | 1 |
| C6 | BB | 25.06 | 1 |
| C7 | BA | 38.09 | 1 |
| C13 | B | 45.77 | 1 |
| C3 | OMe | 55.92 | 4 |
| C4 | OMe | 55.92 | 4 |
| C5 | OMe | 56.00 | 4 |
| C20 | A | 93.48 | 1 |
| C12 | A2 | 109.62 | 1 |
| C9 | A5 | 110.88 | 1 |
| C11 | B2 | 111.90 | 1 |
| C10 | B6 | 115.44 | 1 |
| C8 | A6 | 119.22 | 1 |
| C16 | B5 | 132.90 | 1 |
| C15 | A1 | 132.95 | 1 |
| C14 | B1 | 136.30 | 1 |
| C21 | B4 | 143.87 | 1 |
| C19 | B3 | 145.42 | 1 |
| C18 | A3 | 149.10 | 1 |
| C17 | A4 | 149.16 | 1 |
| H27 | BG | 0.96 | 1 |
| H26 | BG | 0.96 | 1 |
| H28 | BG | 0.96 | 1 |
| H31 | G | 1.37 | 1 |
| H29 | G | 1.37 | 1 |
| H30 | G | 1.37 | 1 |
| H41 | BB | 1.64 | 1 |
| H42 | BB | 1.64 | 1 |
| H43 | BA | 2.55 | 1 |
| H44 | BA | 2.55 | 1 |
| H50 | B | 4.45 | 1 |
| H34 | OMe | 3.86 | 4 |
| H33 | OMe | 3.86 | 4 |
| H32 | OMe | 3.86 | 4 |
| H37 | OMe | 3.87 | 4 |
| H36 | OMe | 3.87 | 4 |
| H35 | OMe | 3.87 | 4 |
| H39 | OMe | 3.88 | 4 |
| H38 | OMe | 3.88 | 4 |
| H40 | OMe | 3.88 | 4 |
| H51 | A | 5.09 | 1 |
| H48 | B2 | 6.59 | 1 |
| H47 | B6 | 6.62 | 1 |
| H46 | A5 | 6.83 | 1 |
| H45 | A6 | 6.96 | 1 |
| H49 | A2 | 7.00 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BG | 14.08 | 1 |
| C2 | G | 17.90 | 1 |
| C6 | BB | 25.74 | 1 |
| C7 | BA | 38.53 | 1 |
| C13 | B | 46.47 | 1 |
| C3 | OMe | 56.12 | 1 |
| C4 | OMe | 56.12 | 1 |
| C5 | OMe | 56.41 | 1 |
| C20 | A | 93.58 | 1 |
| C12 | A2 | 111.03 | 1 |
| C9 | A5 | 112.57 | 1 |
| C11 | B2 | 113.62 | 1 |
| C10 | B6 | 116.40 | 1 |
| C8 | A6 | 119.68 | 1 |
| C16 | B5 | 134.07 | 1 |
| C15 | A1 | 134.25 | 1 |
| C14 | B1 | 136.69 | 1 |
| C21 | B4 | 144.80 | 1 |
| C19 | B3 | 146.57 | 1 |
| C18 | A3 | 150.40 | 1 |
| C17 | A4 | 150.49 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BG | 13.66 | 1 |
| C2 | G | 17.18 | 1 |
| C6 | BB | 24.53 | 1 |
| C7 | BA | 37.28 | 1 |
| C13 | B | 44.87 | 1 |
| C3 | OMe | 55.47 | 4 |
| C4 | OMe | 55.47 | 4 |
| C5 | OMe | 55.66 | 4 |
| C20 | A | 92.11 | 1 |
| C12 | A2 | 110.01 | 1 |
| C9 | A5 | 111.58 | 1 |
| C11 | B2 | 112.28 | 1 |
| C10 | B6 | 115.37 | 1 |
| C8 | A6 | 118.85 | 1 |
| C16 | B5 | 132.49 | 1 |
| C15 | A1 | 132.86 | 1 |
| C14 | B1 | 135.46 | 1 |
| C21 | B4 | 143.34 | 1 |
| C19 | B3 | 144.92 | 1 |
| C18 | A3 | 148.83 | 1 |
| C17 | A4 | 148.83 | 1 |