Sinapyl P-coumarate (C20 H20 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 356.3692
This is of the category: Misc. Compounds
Concentration: Saturated (Source: Stephane Quideau)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.28 | 1 |
| C2 | OMe | 56.28 | 1 |
| C11 | G | 65.15 | 1 |
| C12 | A2 | 103.55 | 1 |
| C13 | A6 | 103.55 | 1 |
| C10 | BB | 115.15 | 1 |
| C8 | B3 | 115.92 | 1 |
| C9 | B5 | 115.92 | 1 |
| C3 | B | 121.44 | 1 |
| C14 | B1 | 126.98 | 1 |
| C15 | A1 | 127.84 | 1 |
| C5 | B2 | 129.98 | 1 |
| C6 | B6 | 129.98 | 1 |
| C4 | A | 134.53 | 1 |
| C20 | A4 | 135.03 | 1 |
| C7 | BA | 144.91 | 1 |
| C17 | A3 | 147.10 | 1 |
| C18 | A5 | 147.10 | 1 |
| C16 | B4 | 158.06 | 1 |
| C19 | BG | 167.32 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.61 | 1 |
| C2 | OMe | 56.61 | 1 |
| C11 | G | 65.42 | 1 |
| C12 | A2 | 105.16 | 1 |
| C13 | A6 | 105.16 | 1 |
| C10 | BB | 115.52 | 1 |
| C8 | B3 | 116.70 | 1 |
| C9 | B5 | 116.70 | 1 |
| C3 | B | 122.07 | 1 |
| C14 | B1 | 126.99 | 1 |
| C15 | A1 | 128.22 | 1 |
| C5 | B2 | 130.95 | 1 |
| C6 | B6 | 130.95 | 1 |
| C4 | A | 135.14 | 1 |
| C20 | A4 | 137.27 | 1 |
| C7 | BA | 145.45 | 1 |
| C17 | A3 | 148.84 | 1 |
| C18 | A5 | 148.84 | 1 |
| C16 | B4 | 160.62 | 1 |
| C19 | BG | 167.22 | 1 |
| H28 | OMe | 3.84 | 1 |
| H29 | OMe | 3.84 | 1 |
| H27 | OMe | 3.84 | 1 |
| H31 | OMe | 3.84 | 1 |
| H30 | OMe | 3.84 | 1 |
| H32 | OMe | 3.84 | 1 |
| H41 | G | 4.78 | 1 |
| H42 | G | 4.78 | 1 |
| H33 | B | 6.28 | 1 |
| H40 | BB | 6.38 | 1 |
| H34 | A | 6.64 | 1 |
| H43 | A2 | 6.79 | 1 |
| H44 | A6 | 6.79 | 1 |
| H38 | B3 | 6.89 | 1 |
| H39 | B5 | 6.89 | 1 |
| H35 | B2 | 7.55 | 1 |
| H36 | B6 | 7.55 | 1 |
| H37 | BA | 7.63 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.97 | 1 |
| C2 | OMe | 55.97 | 1 |
| C11 | G | 64.50 | 1 |
| C12 | A2 | 104.20 | 1 |
| C13 | A6 | 104.20 | 1 |
| C10 | BB | 114.08 | 1 |
| C8 | B3 | 115.78 | 1 |
| C9 | B5 | 115.78 | 1 |
| C3 | B | 121.06 | 1 |
| C14 | B1 | 125.08 | 1 |
| C15 | A1 | 126.47 | 1 |
| C5 | B2 | 130.34 | 1 |
| C6 | B6 | 130.34 | 1 |
| C4 | A | 134.03 | 1 |
| C20 | A4 | 135.80 | 1 |
| C7 | BA | 144.88 | 1 |
| C17 | A3 | 148.04 | 1 |
| C18 | A5 | 148.04 | 1 |
| C16 | B4 | 159.87 | 1 |
| C19 | BG | 166.40 | 1 |