Vanillyl Alcohol Diacetate (C12 H14 O5)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 238.23656
This is of the category: Monomers
Concentration: 70 mg/ml (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.57 | 4 |
| C2 | AcMe | 20.93 | 4 |
| C3 | OMe | 55.84 | 1 |
| C7 | A | 65.86 | 1 |
| C6 | 2 | 112.50 | 1 |
| C4 | 6 | 120.67 | 1 |
| C5 | 5 | 122.77 | 1 |
| C10 | 1 | 134.80 | 1 |
| C11 | 4 | 139.62 | 1 |
| C12 | 3 | 151.07 | 1 |
| C9 | 4AcC=O | 168.84 | 1 |
| C8 | AAcC=O | 170.66 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.45 | 4 |
| C2 | AcMe | 20.78 | 4 |
| C3 | OMe | 56.20 | 1 |
| C7 | A | 66.10 | 1 |
| C6 | 2 | 113.32 | 1 |
| C4 | 6 | 121.04 | 1 |
| C5 | 5 | 123.57 | 1 |
| C10 | 1 | 136.23 | 1 |
| C11 | 4 | 140.64 | 1 |
| C12 | 3 | 152.19 | 1 |
| C9 | 4AcC=O | 168.93 | 1 |
| C8 | AAcC=O | 170.79 | 1 |
| H19 | AcMe | 2.04 | 4 |
| H20 | AcMe | 2.04 | 4 |
| H18 | AcMe | 2.04 | 4 |
| H22 | AcMe | 2.23 | 4 |
| H21 | AcMe | 2.23 | 4 |
| H23 | AcMe | 2.23 | 4 |
| H24 | OMe | 3.80 | 1 |
| H25 | OMe | 3.80 | 1 |
| H26 | OMe | 3.80 | 1 |
| H30 | A | 5.06 | 1 |
| H31 | A | 5.06 | 1 |
| H27 | 6 | 6.96 | 1 |
| H28 | 5 | 7.03 | 1 |
| H29 | 2 | 7.11 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.25 | 4 |
| C2 | AcMe | 20.59 | 4 |
| C3 | OMe | 55.68 | 1 |
| C7 | A | 65.10 | 1 |
| C6 | 2 | 112.58 | 1 |
| C4 | 6 | 120.16 | 1 |
| C5 | 5 | 122.67 | 1 |
| C10 | 1 | 134.99 | 1 |
| C11 | 4 | 138.97 | 1 |
| C12 | 3 | 150.69 | 1 |
| C9 | 4AcC=O | 168.42 | 1 |
| C8 | AAcC=O | 170.15 | 1 |