Acetylated Eugenol (C12 H14 O3)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 206.23776
This is of the category: Monomers
Concentration: 100 mg/ml (Source: John Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.64 | 1 |
| C5 | A | 40.08 | 1 |
| C3 | OMe | 55.81 | 1 |
| C8 | 2 | 112.76 | 1 |
| C1 | G | 116.12 | 1 |
| C7 | 5 | 120.66 | 1 |
| C6 | 6 | 122.51 | 1 |
| C4 | B | 137.03 | 1 |
| C11 | 4 | 138.05 | 1 |
| C10 | 1 | 138.98 | 1 |
| C12 | 3 | 150.89 | 1 |
| C9 | AcC=O | 169.12 | 1 |
| H19 | AcMe | 2.29 | 1 |
| H18 | AcMe | 2.29 | 1 |
| H20 | AcMe | 2.29 | 1 |
| H25 | A | 3.36 | 1 |
| H26 | A | 3.36 | 1 |
| H21 | OMe | 3.80 | 1 |
| H22 | OMe | 3.80 | 1 |
| H23 | OMe | 3.80 | 1 |
| H16 | G | 5.07 | 1 |
| H17 | G | 5.07 | 1 |
| H24 | B | 5.95 | 1 |
| H27 | A6 | 6.75 | 1 |
| H29 | A2 | 6.77 | 1 |
| H28 | A5 | 6.94 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.45 | 1 |
| C5 | A | 40.51 | 1 |
| C3 | OMe | 56.08 | 1 |
| C8 | 2 | 113.66 | 1 |
| C1 | G | 116.03 | 1 |
| C7 | 5 | 121.10 | 1 |
| C6 | 6 | 123.37 | 1 |
| C4 | B | 138.32 | 1 |
| C11 | 4 | 139.24 | 1 |
| C10 | 1 | 139.72 | 1 |
| C12 | 3 | 152.10 | 1 |
| C9 | AcC=O | 168.95 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.30 | 1 |
| C5 | A | 39.26 | 1 |
| C3 | OMe | 55.57 | 1 |
| C8 | 2 | 112.82 | 1 |
| C1 | G | 115.87 | 1 |
| C7 | 5 | 120.15 | 1 |
| C6 | 6 | 122.48 | 1 |
| C4 | B | 137.34 | 1 |
| C11 | 4 | 137.53 | 1 |
| C10 | 1 | 138.66 | 1 |
| C12 | 3 | 150.61 | 1 |
| C9 | AcC=O | 168.47 | 1 |