Methyl P-Coumarate (C10 H10 O3)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 178.1846
This is of the category: Monomers
Concentration: 136 mg/ml (Source: John Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | GOMe | 51.71 | 1 |
| C7 | B | 114.98 | 1 |
| C5 | 3 | 115.95 | 1 |
| C6 | 5 | 115.95 | 1 |
| C8 | 1 | 126.98 | 1 |
| C2 | 2 | 130.00 | 1 |
| C3 | 6 | 130.00 | 1 |
| C4 | A | 144.89 | 1 |
| C9 | 4 | 158.12 | 1 |
| C10 | G | 168.18 | 1 |
| H14 | GOMe | 3.80 | 1 |
| H15 | GOMe | 3.80 | 1 |
| H16 | GOMe | 3.80 | 1 |
| H19 | A | 7.64 | 1 |
| H20 | 3 | 6.86 | 1 |
| H21 | 5 | 6.86 | 1 |
| H17 | 2 | 7.42 | 1 |
| H18 | 6 | 7.42 | 1 |
| H22 | B | 6.28 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | GOMe | 51.49 | 1 |
| C7 | B | 115.22 | 1 |
| C5 | 3 | 116.64 | 1 |
| C6 | 5 | 116.64 | 1 |
| C8 | 1 | 126.90 | 1 |
| C2 | 2 | 130.82 | 1 |
| C3 | 6 | 130.82 | 1 |
| C4 | A | 145.33 | 1 |
| C9 | 4 | 160.45 | 1 |
| C10 | G | 167.87 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | GOMe | 51.13 | 1 |
| C7 | B | 113.90 | 1 |
| C5 | 3 | 115.78 | 1 |
| C6 | 5 | 115.78 | 1 |
| C8 | 1 | 125.07 | 1 |
| C2 | 2 | 130.21 | 1 |
| C3 | 6 | 130.21 | 1 |
| C4 | A | 144.69 | 1 |
| C9 | 4 | 159.87 | 1 |
| C10 | G | 166.99 | 1 |