Guaiacol Acetate (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: 108 mg/ml (Source: Jamie Milhaupt)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.64 | 1 |
| C2 | OMe | 55.78 | 1 |
| C5 | 2 | 112.39 | 1 |
| C6 | 5 | 120.72 | 1 |
| C3 | 1 | 122.78 | 1 |
| C4 | 6 | 126.86 | 1 |
| C9 | 4 | 139.75 | 1 |
| C8 | 3 | 151.10 | 1 |
| C7 | AcC=O | 168.99 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.48 | 1 |
| C2 | OMe | 56.12 | 1 |
| C5 | 2 | 113.41 | 1 |
| C6 | 5 | 121.30 | 1 |
| C3 | 1 | 123.66 | 1 |
| C4 | 6 | 127.50 | 1 |
| C9 | 4 | 141.01 | 1 |
| C8 | 3 | 152.36 | 1 |
| C7 | AcC=O | 168.93 | 1 |
| H15 | AcMe | 2.22 | 1 |
| H14 | AcMe | 2.22 | 1 |
| H13 | AcMe | 2.22 | 1 |
| H16 | OMe | 3.79 | 1 |
| H18 | OMe | 3.79 | 1 |
| H17 | OMe | 3.79 | 1 |
| H21 | 2 | 6.93 | 1 |
| H22 | 5 | 7.20 | 1 |
| H19 | 1 | 7.05 | 1 |
| H20 | 6 | 7.05 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.21 | 1 |
| C2 | OMe | 55.62 | 1 |
| C5 | 2 | 112.74 | 1 |
| C6 | 5 | 120.47 | 1 |
| C3 | 1 | 122.76 | 1 |
| C4 | 6 | 126.79 | 1 |
| C9 | 4 | 139.33 | 1 |
| C8 | 3 | 150.87 | 1 |
| C7 | AcC=O | 168.43 | 1 |