Phenol Acetate (C8 H8 O2)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 136.14792
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 | 21.12 | 1 |
| C5 | 3 | 121.58 | 1 |
| C6 | 5 | 121.58 | 1 |
| C2 | 1 | 125.82 | 1 |
| C5 | 2 | 129.42 | 1 |
| C6 | 6 | 129.42 | 1 |
| C8 | 4 | 150.74 | 1 |
| C7 | AcC=O | 169.48 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.94 | 1 |
| C5 | 3 | 122.57 | 1 |
| C6 | 5 | 122.57 | 1 |
| C2 | 1 | 126.36 | 1 |
| C5 | 2 | 130.09 | 1 |
| C6 | 6 | 130.09 | 1 |
| C8 | 4 | 151.96 | 1 |
| C7 | AcC=O | 169.61 | 1 |
| H12 | AcMe | 2.23 | 1 |
| H13 | AcMe | 2.23 | 1 |
| H11 | AcMe | 2.23 | 1 |
| H17 | 3 | 7.12 | 1 |
| H18 | 5 | 7.12 | 1 |
| H14 | 1 | 7.22 | 1 |
| H15 | 2 | 7.40 | 1 |
| H16 | 6 | 7.40 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.75 | 1 |
| C5 | 3 | 121.70 | 1 |
| C6 | 5 | 121.70 | 1 |
| C2 | 1 | 125.63 | 1 |
| C5 | 2 | 129.35 | 1 |
| C6 | 6 | 129.35 | 1 |
| C8 | 4 | 150.44 | 1 |
| C7 | AcC=O | 169.05 | 1 |