3,4-dimethoxycinnamyl Acetate (C13 H16 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 236.26374
This is of the category: Monomers
Concentration: 30 mg/ml (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 21.01 | 1 |
| C2 | OMe | 55.88 | 4 |
| C3 | OMe | 55.94 | 4 |
| C8 | G | 65.25 | 1 |
| C9 | 2 | 109.07 | 1 |
| C7 | 5 | 111.20 | 1 |
| C6 | 6 | 120.03 | 1 |
| C4 | B | 121.19 | 1 |
| C11 | 1 | 129.34 | 1 |
| C5 | A | 134.28 | 1 |
| C13 | 3 | 149.14 | 1 |
| C12 | 4 | 149.31 | 1 |
| C10 | AcC=O | 170.84 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.79 | 1 |
| C2 | OMe | 56.08 | 1 |
| C3 | OMe | 56.08 | 1 |
| C8 | G | 65.48 | 1 |
| C9 | 2 | 110.48 | 1 |
| C7 | 5 | 112.67 | 1 |
| C6 | 6 | 120.78 | 1 |
| C4 | B | 122.28 | 1 |
| C11 | 1 | 130.37 | 1 |
| C5 | A | 134.54 | 1 |
| C13 | 3 | 150.54 | 1 |
| C12 | 4 | 150.62 | 1 |
| C10 | AcC=O | 170.72 | 1 |
| H20 | AcMe | 2.02 | 1 |
| H19 | AcMe | 2.02 | 1 |
| H18 | AcMe | 2.02 | 1 |
| H21 | OMe | 3.79 | 4 |
| H23 | OMe | 3.79 | 4 |
| H22 | OMe | 3.79 | 4 |
| H24 | OMe | 3.82 | 4 |
| H25 | OMe | 3.82 | 4 |
| H26 | OMe | 3.82 | 4 |
| H31 | G | 4.65 | 1 |
| H32 | G | 4.65 | 1 |
| H27 | B | 6.22 | 1 |
| H28 | A | 6.61 | 1 |
| H30 | 5 | 6.89 | 1 |
| H29 | 6 | 6.95 | 1 |
| H33 | 2 | 7.10 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.64 | 1 |
| C2 | OMe | 55.41 | 1 |
| C3 | OMe | 55.41 | 1 |
| C8 | G | 64.43 | 1 |
| C9 | 2 | 109.28 | 1 |
| C7 | 5 | 111.63 | 1 |
| C6 | 6 | 119.73 | 1 |
| C4 | B | 121.37 | 1 |
| C11 | 1 | 128.81 | 1 |
| C5 | A | 133.25 | 1 |
| C13 | 3 | 148.83 | 1 |
| C12 | 4 | 148.83 | 1 |
| C10 | AcC=O | 170.05 | 1 |