3,4-Dimethoxycinnamic Acid (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: 120 mg/ml (Source: K & K Labs)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.92 | 4 |
| C2 | OMe | 55.99 | 4 |
| C7 | 2 | 109.88 | 1 |
| C5 | 5 | 111.09 | 1 |
| C6 | B | 114.94 | 1 |
| C3 | 6 | 123.10 | 1 |
| C8 | 1 | 127.08 | 1 |
| C4 | A | 146.95 | 1 |
| C10 | 3 | 149.31 | 1 |
| C9 | 4 | 151.56 | 1 |
| C11 | G | 172.53 | 1 |
| H16 | OMe | 3.92 | 1 |
| H18 | OMe | 3.92 | 1 |
| H17 | OMe | 3.92 | 1 |
| H20 | OMe | 3.92 | 1 |
| H21 | OMe | 3.92 | 1 |
| H19 | OMe | 3.92 | 1 |
| H26 | 2 | 7.08 | 1 |
| H24 | 5 | 6.88 | 1 |
| H22 | 6 | 7.14 | 1 |
| H23 | A | 7.73 | 1 |
| H25 | B | 6.33 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.08 | 4 |
| C2 | OMe | 56.13 | 4 |
| C7 | 2 | 111.20 | 1 |
| C5 | 5 | 112.40 | 1 |
| C6 | B | 116.60 | 1 |
| C3 | 6 | 123.43 | 1 |
| C8 | 1 | 128.31 | 1 |
| C4 | A | 145.64 | 1 |
| C10 | 3 | 150.61 | 1 |
| C9 | 4 | 152.48 | 1 |
| C11 | G | 168.11 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.49 | 4 |
| C2 | OMe | 55.56 | 4 |
| C7 | 2 | 110.35 | 1 |
| C5 | 5 | 111.50 | 1 |
| C6 | B | 116.68 | 1 |
| C3 | 6 | 122.53 | 1 |
| C8 | 1 | 127.05 | 1 |
| C4 | A | 144.08 | 1 |
| C10 | 3 | 148.97 | 1 |
| C9 | 4 | 150.77 | 1 |
| C11 | G | 167.83 | 1 |