Acetylated Isoeugenol (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 |
|---|---|---|---|
| C1 | G | 18.37 | 1 |
| C2 | AcMe | 20.62 | 1 |
| C3 | OMe | 55.77 | 1 |
| C8 | 2 | 109.69 | 1 |
| C6 | 6 | 118.36 | 1 |
| C7 | 5 | 122.65 | 1 |
| C4 | B | 126.01 | 1 |
| C5 | A | 130.48 | 1 |
| C10 | 1 | 137.06 | 1 |
| C11 | 4 | 138.65 | 1 |
| C12 | 3 | 151.02 | 1 |
| C9 | AcC=O | 169.04 | 1 |
| H17 | G | 1.85 | 1 |
| H16 | G | 1.85 | 1 |
| H18 | G | 1.85 | 1 |
| H20 | AcMe | 2.28 | 1 |
| H19 | AcMe | 2.28 | 1 |
| H21 | AcMe | 2.28 | 1 |
| H23 | OMe | 3.81 | 1 |
| H24 | OMe | 3.81 | 1 |
| H22 | OMe | 3.81 | 1 |
| H25 | B | 6.17 | 1 |
| H26 | A | 6.35 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 18.45 | 1 |
| C2 | AcMe | 20.45 | 1 |
| C3 | OMe | 56.10 | 1 |
| C8 | 2 | 110.54 | 1 |
| C6 | 6 | 118.90 | 1 |
| C7 | 5 | 123.53 | 1 |
| C4 | B | 126.34 | 1 |
| C5 | A | 131.36 | 1 |
| C10 | 1 | 137.70 | 1 |
| C11 | 4 | 139.88 | 1 |
| C12 | 3 | 152.26 | 1 |
| C9 | AcC=O | 168.95 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 18.11 | 1 |
| C2 | AcMe | 20.32 | 1 |
| C3 | OMe | 55.64 | 1 |
| C8 | 2 | 109.73 | 1 |
| C6 | 6 | 117.99 | 1 |
| C7 | 5 | 122.68 | 1 |
| C4 | B | 125.80 | 1 |
| C5 | A | 130.24 | 1 |
| C10 | 1 | 136.44 | 1 |
| C11 | 4 | 138.24 | 1 |
| C12 | 3 | 150.86 | 1 |
| C9 | AcC=O | 168.46 | 1 |