Acetylated Coniferyl Alcohol (C14 H16 O5)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 264.27384
This is of the category: Monomers
Concentration: 94 mg/ml (Source: Mike Mozuch)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.59 | 4 |
| C2 | AcMe | 20.92 | 4 |
| C3 | OMe | 55.88 | 1 |
| C8 | G | 64.84 | 1 |
| C9 | 2 | 110.34 | 1 |
| C6 | 6 | 119.37 | 1 |
| C7 | 5 | 122.88 | 1 |
| C4 | B | 123.61 | 1 |
| C5 | A | 133.52 | 1 |
| C12 | 1 | 135.30 | 1 |
| C13 | 4 | 139.76 | 1 |
| C14 | 3 | 151.21 | 1 |
| C11 | A4AcC=O | 168.83 | 1 |
| C10 | GAcC=O | 170.68 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.45 | 4 |
| C2 | AcMe | 20.76 | 4 |
| C3 | OMe | 56.24 | 1 |
| C8 | G | 65.13 | 1 |
| C9 | 2 | 111.23 | 1 |
| C6 | 6 | 119.92 | 1 |
| C7 | 5 | 123.74 | 1 |
| C4 | B | 124.90 | 1 |
| C5 | A | 133.62 | 1 |
| C12 | 1 | 136.26 | 1 |
| C13 | 4 | 140.82 | 1 |
| C14 | 3 | 152.43 | 1 |
| C11 | A4AcC=O | 168.89 | 1 |
| C10 | GAcC=O | 170.69 | 1 |
| H22 | AcMe | 2.04 | 4 |
| H21 | AcMe | 2.04 | 4 |
| H20 | AcMe | 2.04 | 4 |
| H24 | AcMe | 2.23 | 4 |
| H23 | AcMe | 2.23 | 4 |
| H25 | AcMe | 2.23 | 4 |
| H27 | OMe | 3.8 | 1 |
| H28 | OMe | 3.8 | 1 |
| H26 | OMe | 3.8 | 1 |
| H33 | G | 4.69 | 1 |
| H34 | G | 4.69 | 1 |
| H29 | B | 6.36 | 1 |
| H30 | A | 6.68 | 1 |
| H32 | 5 | 7.01 | 1 |
| H31 | 6 | 7.01 | 1 |
| H35 | 2 | 7.21 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.27 | 4 |
| C2 | AcMe | 20.60 | 4 |
| C3 | OMe | 55.75 | 1 |
| C8 | G | 64.12 | 1 |
| C9 | 2 | 110.41 | 1 |
| C6 | 6 | 118.99 | 1 |
| C7 | 5 | 122.83 | 1 |
| C4 | B | 124.16 | 1 |
| C5 | A | 132.29 | 1 |
| C12 | 1 | 134.97 | 1 |
| C13 | 4 | 139.08 | 1 |
| C14 | 3 | 150.94 | 1 |
| C11 | A4AcC=O | 168.37 | 1 |
| C10 | GAcC=O | 170.02 | 1 |