Acetovanillone (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: John Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B | 26.16 | 1 |
| C2 | OMe | 56.01 | 1 |
| C5 | 2 | 109.89 | 1 |
| C4 | 5 | 113.97 | 1 |
| C3 | 6 | 124.06 | 1 |
| C7 | 1 | 130.02 | 1 |
| C9 | 3 | 146.77 | 1 |
| C8 | 4 | 150.66 | 1 |
| C6 | A | 197.14 | 1 |
| H13 | B | 2.56 | 1 |
| H14 | B | 2.56 | 1 |
| H15 | B | 2.56 | 1 |
| H16 | OMe | 3.91 | 1 |
| H17 | OMe | 3.91 | 1 |
| H18 | OMe | 3.91 | 1 |
| H21 | 2 | 7.53 | 1 |
| H20 | 5 | 6.95 | 1 |
| H19 | 6 | 7.53 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B | 26.22 | 1 |
| C2 | OMe | 56.17 | 1 |
| C5 | 2 | 111.40 | 1 |
| C4 | 5 | 115.26 | 1 |
| C3 | 6 | 124.22 | 1 |
| C7 | 1 | 130.65 | 1 |
| C9 | 3 | 148.16 | 1 |
| C8 | 4 | 152.12 | 1 |
| C6 | A | 196.30 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B | 26.14 | 1 |
| C2 | OMe | 55.52 | 1 |
| C5 | 2 | 111.04 | 1 |
| C4 | 5 | 114.85 | 1 |
| C3 | 6 | 123.34 | 1 |
| C7 | 1 | 128.84 | 1 |
| C9 | 3 | 147.45 | 1 |
| C8 | 4 | 151.65 | 1 |
| C6 | A | 195.98 | 1 |