Acetylated Acetovanillone (C11 H12 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 208.21058
This is of the category: Monomers
Concentration: 90 mg/ml (Source: Institute of Paper Chemistry)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.61 | 1 |
| C1 | B | 26.49 | 1 |
| C3 | OMe | 56.05 | 1 |
| C6 | 2 | 111.51 | 1 |
| C4 | 6 | 121.94 | 1 |
| C5 | 5 | 122.80 | 1 |
| C9 | 1 | 135.96 | 1 |
| C10 | 4 | 143.87 | 1 |
| C11 | 3 | 151.41 | 1 |
| C8 | AcC=O | 168.46 | 1 |
| C7 | A | 196.91 | 1 |
| H20 | AcMe | 2.59 | 1 |
| H19 | AcMe | 2.59 | 1 |
| H21 | AcMe | 2.59 | 1 |
| H16 | B | 2.33 | 1 |
| H17 | B | 2.33 | 1 |
| H18 | B | 2.33 | 1 |
| H23 | OMe | 3.88 | 1 |
| H24 | OMe | 3.88 | 1 |
| H22 | OMe | 3.88 | 1 |
| H27 | 2 | 7.59 | 1 |
| H26 | 5 | 7.12 | 1 |
| H25 | 6 | 7.54 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.46 | 1 |
| C1 | B | 26.63 | 1 |
| C3 | OMe | 56.37 | 1 |
| C6 | 2 | 112.44 | 1 |
| C4 | 6 | 122.38 | 1 |
| C5 | 5 | 123.77 | 1 |
| C9 | 1 | 136.93 | 1 |
| C10 | 4 | 144.80 | 1 |
| C11 | 3 | 152.40 | 1 |
| C8 | AcC=O | 168.64 | 1 |
| C7 | A | 196.89 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.29 | 1 |
| C1 | B | 26.62 | 1 |
| C3 | OMe | 55.88 | 1 |
| C6 | 2 | 111.62 | 1 |
| C4 | 6 | 121.56 | 1 |
| C5 | 5 | 123.02 | 1 |
| C9 | 1 | 135.62 | 1 |
| C10 | 4 | 143.21 | 1 |
| C11 | 3 | 150.92 | 1 |
| C8 | AcC=O | 168.12 | 1 |
| C7 | A | 196.88 | 1 |