3,4,5-Trimethoxyacetophenone (C11 H14 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 210.22646
This is of the category: Monomers
Concentration: 96 mg/ml (Source: Aldrich)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B | 26.39 | 1 |
| C2 | OMe | 56.34 | 1 |
| C3 | OMe | 56.34 | 1 |
| C4 | 4OMe | 60.91 | 1 |
| C5 | 2 | 106.00 | 1 |
| C6 | 6 | 106.00 | 1 |
| C8 | 1 | 132.49 | 1 |
| C11 | 4 | 142.77 | 1 |
| C9 | 3 | 153.08 | 1 |
| C10 | 5 | 153.08 | 1 |
| C7 | A | 196.79 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B | 26.52 | 1 |
| C2 | OMe | 56.57 | 1 |
| C3 | OMe | 56.57 | 1 |
| C4 | 4OMe | 60.64 | 1 |
| C5 | 2 | 106.85 | 1 |
| C6 | 6 | 106.85 | 1 |
| C8 | 1 | 133.51 | 1 |
| C11 | 4 | 143.62 | 1 |
| C9 | 3 | 154.16 | 1 |
| C10 | 5 | 154.16 | 1 |
| C7 | A | 196.76 | 1 |
| H18 | B | 2.56 | 1 |
| H17 | B | 2.56 | 1 |
| H16 | B | 2.56 | 1 |
| H25 | 4OMe | 3.80 | 1 |
| H27 | 4OMe | 3.80 | 1 |
| H26 | 4OMe | 3.80 | 1 |
| H19 | 3OMe | 3.89 | 1 |
| H21 | 3OMe | 3.89 | 1 |
| H20 | 3OMe | 3.89 | 1 |
| H22 | 5OMe | 3.89 | 1 |
| H24 | 5OMe | 3.89 | 1 |
| H23 | 5OMe | 3.89 | 1 |
| H28 | 2 | 7.29 | 1 |
| H29 | 6 | 7.29 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B | 26.50 | 1 |
| C2 | OMe | 56.01 | 1 |
| C3 | OMe | 56.01 | 1 |
| C4 | 4OMe | 60.07 | 1 |
| C5 | 2 | 105.80 | 1 |
| C6 | 6 | 105.80 | 1 |
| C8 | 1 | 132.18 | 1 |
| C11 | 4 | 141.91 | 1 |
| C9 | 3 | 152.68 | 1 |
| C10 | 5 | 152.68 | 1 |
| C7 | A | 196.70 | 1 |