4-acetoxy-acetophenone (C10 H10 O3)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 178.1846
This is of the category: Monomers
Concentration: 100 mg/ml (Source: Jamie Milhaupt)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 21.11 | 1 |
| C1 | B | 26.55 | 1 |
| C5 | 3 | 121.75 | 1 |
| C6 | 5 | 121.75 | 1 |
| C3 | 2 | 129.91 | 1 |
| C4 | 6 | 129.91 | 1 |
| C9 | 1 | 134.72 | 1 |
| C10 | 4 | 154.35 | 1 |
| C8 | AcC=O | 168.78 | 1 |
| C7 | A | 196.75 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.98 | 1 |
| C1 | B | 20.64 | 1 |
| C5 | 3 | 122.75 | 1 |
| C6 | 5 | 122.75 | 1 |
| C3 | 2 | 130.53 | 1 |
| C4 | 6 | 130.53 | 1 |
| C9 | 1 | 135.65 | 1 |
| C10 | 4 | 155.43 | 1 |
| C8 | AcC=O | 169.27 | 1 |
| C7 | A | 196.80 | 1 |
| C17 | AcMe | 2.28 | 1 |
| C18 | AcMe | 2.28 | 1 |
| C19 | AcMe | 2.28 | 1 |
| C14 | B | 2.57 | 1 |
| C15 | B | 2.57 | 1 |
| C16 | B | 2.57 | 1 |
| C5 | 3 | 7.24 | 1 |
| C6 | 3 | 7.24 | 1 |
| C3 | 2 | 8.02 | 1 |
| C4 | 2 | 8.02 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.51 | 1 |
| C1 | B | 26.62 | 1 |
| C5 | 3 | 122.02 | 1 |
| C6 | 5 | 122.02 | 1 |
| C3 | 2 | 129.78 | 1 |
| C4 | 6 | 129.78 | 1 |
| C9 | 1 | 134.39 | 1 |
| C10 | 4 | 154.08 | 1 |
| C8 | AcC=O | 168.73 | 1 |
| C7 | A | 196.75 | 1 |