Coniferyl P-coumarate (C19 H18 O5)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 326.34322
This is of the category: Misc. Compounds
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.87 | 1 |
| C12 | G | 65.35 | 1 |
| C13 | A2 | 108.44 | 1 |
| C11 | BB | 114.45 | 1 |
| C10 | A5 | 114.98 | 1 |
| C8 | B3 | 115.93 | 1 |
| C9 | B5 | 115.93 | 1 |
| C6 | A6 | 120.62 | 1 |
| C2 | B | 120.89 | 1 |
| C14 | B1 | 126.81 | 1 |
| C15 | A1 | 128.83 | 1 |
| C4 | B2 | 130.00 | 1 |
| C5 | B6 | 130.00 | 1 |
| C3 | A | 134.43 | 1 |
| C7 | BA | 145.07 | 1 |
| C17 | A4 | 145.84 | 1 |
| C18 | A3 | 146.63 | 1 |
| C16 | B4 | 158.26 | 1 |
| C19 | BG | 167.57 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.20 | 1 |
| C12 | G | 65.49 | 1 |
| C13 | A2 | 110.20 | 1 |
| C11 | BB | 115.45 | 1 |
| C10 | A5 | 115.83 | 1 |
| C8 | B3 | 116.68 | 1 |
| C9 | B5 | 116.68 | 1 |
| C6 | A6 | 121.19 | 1 |
| C2 | B | 121.72 | 1 |
| C14 | B1 | 126.90 | 1 |
| C15 | A1 | 129.39 | 1 |
| C4 | B2 | 130.91 | 1 |
| C5 | B6 | 130.91 | 1 |
| C3 | A | 134.90 | 1 |
| C7 | BA | 145.49 | 1 |
| C17 | A4 | 147.80 | 1 |
| C18 | A3 | 148.53 | 1 |
| C16 | B4 | 160.65 | 1 |
| C19 | BG | 167.27 | 1 |
| H26 | OMe | 3.86 | 1 |
| H25 | OMe | 3.86 | 1 |
| H27 | OMe | 3.86 | 1 |
| H38 | G | 4.78 | 1 |
| H39 | G | 4.78 | 1 |
| H28 | B | 6.25 | 1 |
| H37 | BB | 6.37 | 1 |
| H29 | A | 6.65 | 1 |
| H36 | A5 | 6.79 | 1 |
| H34 | B3 | 6.88 | 1 |
| H35 | B5 | 6.88 | 1 |
| H32 | A6 | 6.91 | 1 |
| H40 | A2 | 7.11 | 1 |
| H30 | B2 | 7.54 | 1 |
| H31 | B6 | 7.54 | 1 |
| H33 | BA | 7.63 | 1 |
| H41 | ArOH | 7.76 | 4 |
| H42 | ArOH | 9.03 | 4 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.61 | 1 |
| C12 | G | 64.62 | 1 |
| C13 | A2 | 109.91 | 1 |
| C11 | BB | 114.13 | 1 |
| C10 | A5 | 115.46 | 1 |
| C8 | B3 | 115.81 | 1 |
| C9 | B5 | 115.81 | 1 |
| C6 | A6 | 120.12 | 1 |
| C2 | B | 120.61 | 1 |
| C14 | B1 | 125.12 | 1 |
| C15 | A1 | 127.59 | 1 |
| C4 | B2 | 130.37 | 1 |
| C5 | B6 | 130.37 | 1 |
| C3 | A | 133.9 | 1 |
| C7 | BA | 144.90 | 1 |
| C17 | A4 | 146.87 | 1 |
| C18 | A3 | 147.79 | 1 |
| C16 | B4 | 159.89 | 1 |
| C19 | BG | 166.46 | 1 |