4-acetoxy Cinnamaldehyde (C11 H10 O3)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 190.1953
This is of the category: Monomers
Concentration: 54 mg/ml (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 21.11 | 1 |
| C6 | 3 | 122.43 | 1 |
| C7 | 5 | 122.43 | 1 |
| C2 | B | 128.73 | 1 |
| C4 | 2 | 129.70 | 1 |
| C5 | 6 | 129.70 | 1 |
| C10 | 1 | 131.75 | 1 |
| C3 | A | 151.44 | 1 |
| C11 | 4 | 152.90 | 1 |
| C9 | AcC=O | 168.97 | 1 |
| C8 | G | 193.44 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.98 | 1 |
| C6 | 3 | 123.40 | 1 |
| C7 | 5 | 123.40 | 1 |
| C2 | B | 129.60 | 1 |
| C4 | 2 | 130.60 | 1 |
| C5 | 6 | 130.60 | 1 |
| C10 | 1 | 132.91 | 1 |
| C3 | A | 152.21 | 1 |
| C11 | 4 | 154.01 | 1 |
| C9 | AcC=O | 169.40 | 1 |
| C8 | G | 193.95 | 1 |
| H15 | AcMe | 2.27 | 1 |
| H16 | AcMe | 2.27 | 1 |
| H17 | AcMe | 2.27 | 1 |
| H18 | B | 6.73 | 1 |
| H22 | 3 | 7.22 | 1 |
| H23 | 5 | 7.22 | 1 |
| H19 | A | 7.66 | 1 |
| H20 | 2 | 7.76 | 1 |
| H21 | 6 | 7.76 | 1 |
| H24 | G | 9.70 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.65 | 1 |
| C6 | 3 | 122.33 | 1 |
| C7 | 5 | 122.33 | 1 |
| C2 | B | 128.41 | 1 |
| C4 | 2 | 129.81 | 1 |
| C5 | 6 | 129.81 | 1 |
| C10 | 1 | 131.59 | 1 |
| C3 | A | 151.73 | 1 |
| C11 | 4 | 152.41 | 1 |
| C9 | AcC=O | 168.70 | 1 |
| C8 | G | 193.97 | 1 |