Methyl 4-acetoxybenzoate (C10 H10 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 194.184
This is of the category: Monomers
Concentration: 106 mg/ml (Source: Larry L. Landucci)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 21.12 | 1 |
| C2 | OMe | 52.16 | 1 |
| C5 | 3 | 121.60 | 1 |
| C6 | 5 | 121.60 | 1 |
| C8 | 1 | 127.70 | 1 |
| C3 | 2 | 131.14 | 1 |
| C4 | 6 | 131.14 | 1 |
| C9 | 4 | 154.30 | 1 |
| C10 | A | 166.25 | 1 |
| C7 | AcC=0 | 168.79 | 1 |
| H15 | AcMe | 2.30 | 1 |
| H16 | AcMe | 2.30 | 1 |
| H17 | AcMe | 2.30 | 1 |
| H19 | OMe | 3.90 | 1 |
| H20 | OMe | 3.90 | 1 |
| H18 | OMe | 3.90 | 1 |
| H23 | 3 | 7.16 | 1 |
| H24 | 5 | 7.16 | 1 |
| H21 | 2 | 8.06 | 1 |
| H22 | 6 | 8.06 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.97 | 1 |
| C2 | OMe | 52.37 | 1 |
| C5 | 3 | 122.82 | 1 |
| C6 | 5 | 122.82 | 1 |
| C8 | 1 | 128.46 | 1 |
| C3 | 2 | 131.60 | 1 |
| C4 | 6 | 131.60 | 1 |
| C9 | 4 | 155.56 | 1 |
| C10 | A | 166.47 | 1 |
| C7 | AcC=0 | 169.23 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.82 | 1 |
| C2 | OMe | 52.13 | 1 |
| C5 | 3 | 122.21 | 1 |
| C6 | 5 | 122.21 | 1 |
| C8 | 1 | 127.08 | 1 |
| C3 | 2 | 130.70 | 1 |
| C4 | 6 | 130.70 | 1 |
| C9 | 4 | 154.20 | 1 |
| C10 | A | 165.49 | 1 |
| C7 | AcC=0 | 168.72 | 1 |