1,2,3-trimethoxybenzene (C9 H12 O3)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 168.18978
This is of the category: Monomers
Concentration: 80 mg/ml (Source: Aldrich)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | 3OMe | 56.09 | 1 |
| C2 | 5OMe | 56.09 | 1 |
| C3 | 4OMe | 60.80 | 1 |
| C5 | 2 | 105.34 | 1 |
| C6 | 6 | 105.34 | 1 |
| C4 | 1 | 123.61 | 1 |
| C7 | 4 | 138.27 | 1 |
| C8 | 3 | 153.56 | 1 |
| C9 | 5 | 153.56 | 1 |
| H13 | 3OMe | 3.85 | 1 |
| H15 | 3OMe | 3.85 | 1 |
| H14 | 3OMe | 3.85 | 1 |
| H16 | 5OMe | 3.85 | 1 |
| H18 | 5OMe | 3.85 | 1 |
| H17 | 5OMe | 3.85 | 1 |
| H19 | 4OMe | 3.85 | 1 |
| H20 | 4OMe | 3.85 | 1 |
| H21 | 4OMe | 3.85 | 1 |
| H23 | 2 | 6.57 | 1 |
| H24 | 6 | 6.57 | 1 |
| H22 | 1 | 6.98 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | 3OMe | 56.35 | 1 |
| C2 | 5OMe | 56.35 | 1 |
| C3 | 4OMe | 60.43 | 1 |
| C5 | 2 | 106.54 | 1 |
| C6 | 6 | 106.54 | 1 |
| C4 | 1 | 124.30 | 1 |
| C7 | 4 | 139.52 | 1 |
| C8 | 3 | 154.67 | 1 |
| C9 | 5 | 154.67 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | 3OMe | 55.77 | 1 |
| C2 | 5OMe | 55.77 | 1 |
| C3 | 4OMe | 59.90 | 1 |
| C5 | 2 | 105.56 | 1 |
| C6 | 6 | 105.56 | 1 |
| C4 | 1 | 123.57 | 1 |
| C7 | 4 | 137.69 | 1 |
| C8 | 3 | 153.16 | 1 |
| C9 | 5 | 153.16 | 1 |