4-acetoxybenzyl Acetate (C11 H12 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 208.21058
This is of the category: Monomers
Concentration: 104 mg/ml (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.95 | 4 |
| C2 | AcMe | 21.08 | 4 |
| C7 | A | 65.58 | 1 |
| C5 | 3 | 121.70 | 1 |
| C6 | 5 | 121.70 | 1 |
| C3 | 2 | 129.50 | 1 |
| C4 | 6 | 129.50 | 1 |
| C10 | 1 | 133.56 | 1 |
| C11 | 4 | 150.53 | 1 |
| C9 | A4AcC=O | 169.31 | 1 |
| C8 | AAcC=O | 170.72 | 1 |
| H17 | AcMe | 2.08 | 4 |
| H16 | AcMe | 2.08 | 4 |
| H18 | AcMe | 2.08 | 4 |
| H19 | AcMe | 2.29 | 4 |
| H20 | AcMe | 2.29 | 4 |
| H21 | AcMe | 2.29 | 4 |
| H26 | A | 5.08 | 1 |
| H27 | A | 5.08 | 1 |
| H24 | 3 | 7.08 | 1 |
| H25 | 5 | 7.08 | 1 |
| H22 | 2 | 7.37 | 1 |
| H23 | 6 | 7.37 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.76 | 4 |
| C2 | AcMe | 20.92 | 4 |
| C7 | A | 65.80 | 1 |
| C5 | 3 | 122.59 | 1 |
| C6 | 5 | 122.59 | 1 |
| C3 | 2 | 130.02 | 1 |
| C4 | 6 | 130.02 | 1 |
| C10 | 1 | 134.84 | 1 |
| C11 | 4 | 151.60 | 1 |
| C9 | A4AcC=O | 169.53 | 1 |
| C8 | AAcC=O | 170.77 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.62 | 4 |
| C2 | AcMe | 20.75 | 4 |
| C7 | A | 64.83 | 1 |
| C5 | 3 | 121.78 | 1 |
| C6 | 5 | 121.78 | 1 |
| C3 | 2 | 129.25 | 1 |
| C4 | 6 | 129.25 | 1 |
| C10 | 1 | 133.67 | 1 |
| C11 | 4 | 150.15 | 1 |
| C9 | A4AcC=O | 169.08 | 1 |
| C8 | AAcC=O | 170.14 | 1 |