3,4,5-trimethoxy Cinnamic Acid (C12 H14 O5)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 238.23656
This is of the category: Monomers
Concentration: 200 mg/ml (Source: Aldrich)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | 3OMe | 56.19 | 1 |
| C2 | 5OMe | 56.19 | 1 |
| C3 | 4OMe | 60.96 | 1 |
| C6 | 2 | 105.67 | 1 |
| C7 | 6 | 105.67 | 1 |
| C5 | b | 116.55 | 1 |
| C8 | 1 | 129.52 | 1 |
| C12 | 4 | 140.62 | 1 |
| C4 | A | 147.02 | 1 |
| C9 | 3 | 153.48 | 1 |
| C10 | 5 | 153.48 | 1 |
| C11 | G | 172.46 | 1 |
| H18 | 3OMe | 3.89 | 1 |
| H20 | 3OMe | 3.89 | 1 |
| H19 | 3OMe | 3.89 | 1 |
| H21 | 5OMe | 3.89 | 1 |
| H23 | 5OMe | 3.89 | 1 |
| H22 | 5OMe | 3.89 | 1 |
| H24 | 4OMe | 3.89 | 1 |
| H25 | 4OMe | 3.89 | 1 |
| H26 | 4OMe | 3.89 | 1 |
| H29 | 2 | 6.78 | 1 |
| H30 | 6 | 6.78 | 1 |
| H27 | A | 7.70 | 1 |
| H28 | B | 6.36 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | 3OMe | 56.49 | 1 |
| C2 | 5OMe | 56.49 | 1 |
| C3 | 4OMe | 60.60 | 1 |
| C6 | 2 | 106.62 | 1 |
| C7 | 6 | 106.62 | 1 |
| C5 | b | 118.15 | 1 |
| C8 | 1 | 130.83 | 1 |
| C12 | 4 | 141.24 | 1 |
| C4 | A | 145.87 | 1 |
| C9 | 3 | 154.54 | 1 |
| C10 | 5 | 154.54 | 1 |
| C11 | G | 168.33 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | 3OMe | 55.98 | 1 |
| C2 | 5OMe | 55.98 | 1 |
| C3 | 4OMe | 60.05 | 1 |
| C6 | 2 | 105.77 | 1 |
| C7 | 6 | 105.77 | 1 |
| C5 | b | 118.51 | 1 |
| C8 | 1 | 129.87 | 1 |
| C12 | 4 | 139.38 | 1 |
| C4 | A | 144.14 | 1 |
| C9 | 3 | 153.10 | 1 |
| C10 | 5 | 153.10 | 1 |
| C11 | G | 167.72 | 1 |