Methyl (3,4,5-trimethoxy)cinnamate (C13 H16 O5)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 252.26314
This is of the category: Monomers
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | GOMe | 51.61 | 1 |
| C1 | 3OMe | 56.15 | 1 |
| C2 | 5OMe | 56.15 | 1 |
| C4 | 4OMe | 60.89 | 1 |
| C7 | 2 | 105.36 | 1 |
| C8 | 6 | 105.36 | 1 |
| C6 | B | 117.04 | 1 |
| C9 | 1 | 129.90 | 1 |
| C13 | 4 | 140.24 | 1 |
| C5 | A | 144.81 | 1 |
| C10 | 3 | 153.46 | 1 |
| C11 | 5 | 153.46 | 1 |
| C12 | G | 167.29 | 1 |
| H25 | GOMe | 3.74 | 1 |
| H27 | GOMe | 3.74 | 1 |
| H26 | GOMe | 3.74 | 1 |
| H19 | 3OMe | 3.82 | 1 |
| H21 | 3OMe | 3.82 | 1 |
| H20 | 3OMe | 3.82 | 1 |
| H22 | 5OMe | 3.82 | 1 |
| H24 | 5OMe | 3.82 | 1 |
| H23 | 5OMe | 3.82 | 1 |
| H28 | 4OMe | 3.82 | 1 |
| H29 | 4OMe | 3.82 | 1 |
| H30 | 4OMe | 3.82 | 1 |
| H33 | 2 | 6.70 | 1 |
| H34 | 6 | 6.70 | 1 |
| H31 | A | 7.54 | 1 |
| H32 | B | 6.29 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | GOMe | 51.57 | 1 |
| C1 | 3OMe | 56.45 | 1 |
| C2 | 5OMe | 56.45 | 1 |
| C4 | 4OMe | 60.58 | 1 |
| C7 | 2 | 106.58 | 1 |
| C8 | 6 | 106.58 | 1 |
| C6 | B | 117.70 | 1 |
| C9 | 1 | 130.70 | 1 |
| C13 | 4 | 141.27 | 1 |
| C5 | A | 145.45 | 1 |
| C10 | 3 | 154.51 | 1 |
| C11 | 5 | 154.51 | 1 |
| C12 | G | 167.51 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | GOMe | 51.31 | 1 |
| C1 | 3OMe | 56.02 | 1 |
| C2 | 5OMe | 56.02 | 1 |
| C4 | 4OMe | 60.06 | 1 |
| C7 | 2 | 105.99 | 1 |
| C8 | 6 | 105.99 | 1 |
| C6 | B | 117.06 | 1 |
| C9 | 1 | 129.61 | 1 |
| C13 | 4 | 139.61 | 1 |
| C5 | A | 144.75 | 1 |
| C10 | 3 | 153.11 | 1 |
| C11 | 5 | 153.11 | 1 |
| C12 | G | 166.78 | 1 |