Acetylated Coniferylaldehyde (C12 H12 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 220.22128
This is of the category: Monomers
Concentration: 60 mg/ml (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.57 | 1 |
| C2 | OMe | 55.98 | 1 |
| C8 | 2 | 111.55 | 1 |
| C5 | 6 | 121.82 | 1 |
| C6 | 5 | 123.49 | 1 |
| C3 | B | 128.74 | 1 |
| C10 | 1 | 132.97 | 1 |
| C11 | 4 | 142.30 | 1 |
| C12 | 3 | 151.66 | 1 |
| C4 | A | 151.74 | 1 |
| C9 | AcC=O | 168.52 | 1 |
| C7 | G | 193.27 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.43 | 1 |
| C2 | OMe | 56.44 | 1 |
| C8 | 2 | 112.65 | 1 |
| C5 | 6 | 122.68 | 1 |
| C6 | 5 | 124.25 | 1 |
| C3 | B | 129.68 | 1 |
| C10 | 1 | 134.17 | 1 |
| C11 | 4 | 143.22 | 1 |
| C12 | 3 | 152.77 | 1 |
| C4 | A | 152.55 | 1 |
| C9 | AcC=O | 168.72 | 1 |
| C7 | G | 193.89 | 1 |
| H18 | AcMe | 2.25 | 1 |
| H17 | AcMe | 2.25 | 1 |
| H19 | AcMe | 2.25 | 1 |
| H21 | OMe | 3.89 | 1 |
| H22 | OMe | 3.89 | 1 |
| H20 | OMe | 3.89 | 1 |
| H23 | B | 6.79 | 1 |
| H26 | 5 | 7.15 | 1 |
| H25 | 6 | 7.29 | 1 |
| H28 | 2 | 7.49 | 1 |
| H24 | A | 7.64 | 1 |
| H27 | G | 9.69 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.28 | 1 |
| C2 | OMe | 55.99 | 1 |
| C8 | 2 | 112.08 | 1 |
| C5 | 6 | 122.04 | 1 |
| C6 | 5 | 123.32 | 1 |
| C3 | B | 128.72 | 1 |
| C10 | 1 | 133.00 | 1 |
| C11 | 4 | 141.55 | 1 |
| C12 | 3 | 151.22 | 1 |
| C4 | A | 152.29 | 1 |
| C9 | AcC=O | 168.19 | 1 |
| C7 | G | 194.17 | 1 |