Vanillin Acetate (C10 H10 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 194.184
This is of the category: Monomers
Concentration: 100 mg/ml (Source: Jamie Milhaupt)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.58 | 1 |
| C2 | OMe | 56.06 | 1 |
| C5 | 2 | 110.92 | 1 |
| C3 | 6 | 123.40 | 1 |
| C4 | 5 | 124.59 | 1 |
| C8 | 1 | 135.23 | 1 |
| C9 | 4 | 144.93 | 1 |
| C10 | 3 | 151.96 | 1 |
| C7 | AcC=O | 168.26 | 1 |
| C6 | A | 190.97 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.45 | 1 |
| C2 | OMe | 56.46 | 1 |
| C5 | 2 | 112.31 | 1 |
| C3 | 6 | 124.39 | 1 |
| C4 | 5 | 124.44 | 1 |
| C8 | 1 | 136.43 | 1 |
| C9 | 4 | 145.83 | 1 |
| C10 | 3 | 153.03 | 1 |
| C7 | AcC=O | 168.57 | 1 |
| C6 | A | 191.76 | 1 |
| H16 | AcMe | 2.27 | 1 |
| H15 | AcMe | 2.27 | 1 |
| H17 | AcMe | 2.27 | 1 |
| H19 | OMe | 3.91 | 1 |
| H20 | OMe | 3.91 | 1 |
| H18 | OMe | 3.91 | 1 |
| H23 | 2 | 7.57 | 1 |
| H22 | 5 | 7.29 | 1 |
| H21 | 6 | 7.55 | 1 |
| H24 | A | 9.97 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.29 | 1 |
| C2 | OMe | 55.96 | 1 |
| C5 | 2 | 111.84 | 1 |
| C3 | 6 | 123.46 | 1 |
| C4 | 5 | 123.63 | 1 |
| C8 | 1 | 135.00 | 1 |
| C9 | 4 | 144.19 | 1 |
| C10 | 3 | 151.50 | 1 |
| C7 | AcC=O | 168.01 | 1 |
| C6 | A | 191.87 | 1 |