Guaiacol (C7 H8 O2)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 124.13722
This is of the category: Monomers
Concentration: 108 mg/ml (Source: Aldrich)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.86 | 1 |
| C5 | 2 | 110.81 | 1 |
| C4 | 5 | 114.60 | 1 |
| C3 | 1 | 120.15 | 1 |
| C2 | 6 | 121.47 | 1 |
| C7 | 3 | 145.70 | 1 |
| C6 | 4 | 146.63 | 1 |
| H10 | OMe | 3.83 | 1 |
| H12 | OMe | 3.83 | 1 |
| H11 | OMe | 3.83 | 1 |
| H17 | OH | 5.72 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.16 | 1 |
| C5 | 2 | 112.48 | 1 |
| C4 | 5 | 115.84 | 1 |
| C3 | 1 | 120.39 | 1 |
| C2 | 6 | 121.94 | 1 |
| C7 | 3 | 147.48 | 1 |
| C6 | 4 | 148.33 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.47 | 1 |
| C5 | 2 | 112.30 | 1 |
| C4 | 5 | 115.51 | 1 |
| C3 | 1 | 119.09 | 1 |
| C2 | 6 | 120.83 | 1 |
| C7 | 3 | 146.52 | 1 |
| C6 | 4 | 147.59 | 1 |