Methyl 4-acetoxycinnamate (C12 H12 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 220.22128
This is of the category: Monomers
Concentration: 100 mg/ml (Source: John Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 21.02 | 1 |
| C2 | OMe | 51.66 | 1 |
| C8 | B | 118.04 | 1 |
| C6 | 3 | 122.23 | 1 |
| C7 | 5 | 122.23 | 1 |
| C3 | 2 | 129.24 | 1 |
| C4 | 6 | 129.24 | 1 |
| C10 | 1 | 132.13 | 1 |
| C5 | A | 143.80 | 1 |
| C11 | 4 | 152.31 | 1 |
| C12 | G | 167.31 | 1 |
| C9 | AcC=O | 169.05 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.93 | 1 |
| C2 | OMe | 51.70 | 1 |
| C8 | B | 118.75 | 1 |
| C6 | 3 | 123.10 | 1 |
| C7 | 5 | 123.10 | 1 |
| C3 | 2 | 130.02 | 1 |
| C4 | 6 | 130.02 | 1 |
| C10 | 1 | 132.81 | 1 |
| C5 | A | 144.21 | 1 |
| C11 | 4 | 153.34 | 1 |
| C12 | G | 167.36 | 1 |
| C9 | AcC=O | 169.36 | 1 |
| H17 | AcMe | 2.27 | 4 |
| H18 | AcMe | 2.27 | 4 |
| H19 | AcMe | 2.27 | 4 |
| H20 | OMe | 3.75 | 4 |
| H21 | OMe | 3.75 | 4 |
| H22 | OMe | 3.75 | 4 |
| H28 | B | 6.51 | 4 |
| H26 | 3 | 7.18 | 4 |
| H27 | 5 | 7.18 | 4 |
| H25 | A | 7.67 | 4 |
| H23 | 2 | 7.69 | 4 |
| H24 | 6 | 7.69 | 4 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.79 | 4 |
| C2 | OMe | 51.70 | 4 |
| C8 | B | 118.75 | 4 |
| C6 | 3 | 122.30 | 1 |
| C7 | 5 | 122.30 | 1 |
| C3 | 2 | 129.50 | 1 |
| C4 | 6 | 129.50 | 1 |
| C10 | 1 | 131.70 | 1 |
| C5 | A | 143.49 | 1 |
| C11 | 4 | 152.06 | 1 |
| C12 | G | 166.56 | 1 |
| C9 | AcC=O | 168.84 | 1 |