Methyl Sinapate (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: 104 mg/ml (Source: John Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | GOMe | 51.60 | 1 |
| C1 | 3OMe | 56.34 | 1 |
| C2 | 5OMe | 56.34 | 1 |
| C6 | 2 | 105.17 | 1 |
| C7 | 6 | 105.17 | 1 |
| C5 | B | 115.50 | 1 |
| C8 | 1 | 125.85 | 1 |
| C12 | 4 | 137.30 | 1 |
| C4 | A | 145.15 | 1 |
| C9 | 3 | 147.29 | 1 |
| C10 | 5 | 147.29 | 1 |
| C11 | G | 167.58 | 1 |
| H24 | GOMe | 3.79 | 1 |
| H26 | GOMe | 3.79 | 1 |
| H25 | GOMe | 3.79 | 1 |
| H20 | 3OMe | 3.90 | 1 |
| H19 | 3OMe | 3.90 | 1 |
| H18 | 3OMe | 3.90 | 1 |
| H21 | 5OMe | 3.90 | 1 |
| H23 | 5OMe | 3.90 | 1 |
| H22 | 5OMe | 3.90 | 1 |
| H29 | 2 | 6.76 | 1 |
| H30 | 6 | 6.76 | 1 |
| H27 | A | 7.60 | 1 |
| H28 | B | 6.30 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | GOMe | 51.46 | 1 |
| C1 | 3OMe | 56.68 | 1 |
| C2 | 5OMe | 56.68 | 1 |
| C6 | 2 | 106.83 | 1 |
| C7 | 6 | 106.83 | 1 |
| C5 | B | 115.73 | 1 |
| C8 | 1 | 126.08 | 1 |
| C12 | 4 | 139.46 | 1 |
| C4 | A | 145.99 | 1 |
| C9 | 3 | 148.88 | 1 |
| C10 | 5 | 148.88 | 1 |
| C11 | G | 167.78 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | GOMe | 51.13 | 1 |
| C1 | 3OMe | 56.06 | 1 |
| C2 | 5OMe | 56.06 | 1 |
| C6 | 2 | 106.26 | 1 |
| C7 | 6 | 106.26 | 1 |
| C5 | B | 114.58 | 1 |
| C8 | 1 | 124.34 | 1 |
| C12 | 4 | 138.36 | 1 |
| C4 | A | 145.32 | 1 |
| C9 | 3 | 148.00 | 1 |
| C10 | 5 | 148.00 | 1 |
| C11 | G | 166.98 | 1 |