Methyl-p-anisate (C9 H10 O3)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 166.1739
This is of the category: Monomers
Concentration: 100 mg/ml (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | 4OMe | 51.82 | 1 |
| C2 | AOMe | 55.39 | 1 |
| C5 | 3 | 113.59 | 1 |
| C6 | 5 | 113.59 | 1 |
| C7 | 1 | 122.60 | 1 |
| C3 | 2 | 131.57 | 1 |
| C4 | 6 | 131.57 | 1 |
| C8 | 4 | 163.33 | 1 |
| C9 | A | 166.82 | 1 |
| H13 | 4OMe | 3.83 | 1 |
| H15 | 4OMe | 3.83 | 1 |
| H14 | 4OMe | 3.83 | 1 |
| H17 | AOMe | 3.86 | 1 |
| H18 | AOMe | 3.86 | 1 |
| H16 | AOMe | 3.86 | 1 |
| H21 | 3 | 6.89 | 1 |
| H22 | 5 | 6.89 | 1 |
| H19 | 2 | 7.99 | 1 |
| H20 | 6 | 7.99 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | 4OMe | 51.94 | 1 |
| C2 | AOMe | 55.83 | 1 |
| C5 | 3 | 114.51 | 1 |
| C6 | 5 | 114.51 | 1 |
| C7 | 1 | 123.36 | 1 |
| C3 | 2 | 132.12 | 1 |
| C4 | 6 | 132.12 | 1 |
| C8 | 4 | 164.35 | 1 |
| C9 | A | 166.84 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | 4OMe | 51.73 | 1 |
| C2 | AOMe | 55.45 | 1 |
| C5 | 3 | 113.95 | 1 |
| C6 | 5 | 113.95 | 1 |
| C7 | 1 | 121.88 | 1 |
| C3 | 2 | 131.20 | 1 |
| C4 | 6 | 131.20 | 1 |
| C8 | 4 | 163.12 | 1 |
| C9 | A | 165.88 | 1 |