Sinapaldehyde (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: 50 mg/ml (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.45 | 1 |
| C2 | OMe | 56.45 | 1 |
| C6 | 2 | 105.73 | 1 |
| C7 | 6 | 105.73 | 1 |
| C8 | 1 | 125.62 | 1 |
| C3 | B | 126.81 | 1 |
| C11 | 4 | 138.24 | 1 |
| C9 | 3 | 147.44 | 1 |
| C10 | 5 | 147.44 | 1 |
| C4 | A | 153.09 | 1 |
| C5 | G | 193.32 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.76 | 1 |
| C2 | OMe | 56.76 | 1 |
| C6 | 2 | 107.39 | 1 |
| C7 | 6 | 107.39 | 1 |
| C8 | 1 | 126.15 | 1 |
| C3 | B | 127.28 | 1 |
| C11 | 4 | 140.26 | 1 |
| C9 | 3 | 149.02 | 1 |
| C10 | 5 | 149.02 | 1 |
| C4 | A | 154.22 | 1 |
| C5 | G | 193.70 | 1 |
| H16 | OMe | 3.90 | 1 |
| H18 | OMe | 3.90 | 1 |
| H17 | OMe | 3.90 | 1 |
| H19 | OMe | 3.90 | 1 |
| H21 | OMe | 3.90 | 1 |
| H20 | OMe | 3.90 | 1 |
| H22 | B | 6.69 | 1 |
| H25 | 2 | 7.08 | 1 |
| H26 | 6 | 7.08 | 1 |
| H23 | A | 7.55 | 1 |
| H24 | G | 9.63 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.08 | 1 |
| C2 | OMe | 56.08 | 1 |
| C6 | 2 | 106.71 | 1 |
| C7 | 6 | 106.71 | 1 |
| C8 | 1 | 124.40 | 1 |
| C3 | B | 126.03 | 1 |
| C11 | 4 | 139.13 | 1 |
| C9 | 3 | 148.02 | 1 |
| C10 | 5 | 148.02 | 1 |
| C4 | A | 154.12 | 1 |
| C5 | G | 193.75 | 1 |