Ethyl Vanillin (C10 H12 O3)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 180.20048
This is of the category: Monomers
Concentration: 80 mg/ml (Source: Mike Mozuch)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | Me | 14.38 | 1 |
| C2 | OMe | 55.77 | 1 |
| C3 | CH2 | 64.39 | 1 |
| C6 | 2 | 108.97 | 1 |
| C5 | 5 | 111.07 | 1 |
| C4 | 6 | 126.53 | 1 |
| C8 | 1 | 129.69 | 1 |
| C10 | 3 | 149.51 | 1 |
| C9 | 4 | 153.71 | 1 |
| C7 | A | 190.60 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | Me | 14.92 | 1 |
| C2 | OMe | 56.00 | 1 |
| C3 | CH2 | 65.02 | 1 |
| C6 | 2 | 110.36 | 1 |
| C5 | 5 | 112.52 | 1 |
| C4 | 6 | 126.65 | 1 |
| C8 | 1 | 130.98 | 1 |
| C10 | 3 | 150.72 | 1 |
| C9 | 4 | 154.88 | 1 |
| C7 | A | 191.06 | 1 |
| H14 | Me | 1.42 | 1 |
| H15 | Me | 1.42 | 1 |
| H16 | Me | 1.42 | 1 |
| H17 | OMe | 3.89 | 1 |
| H18 | OMe | 3.89 | 1 |
| H19 | OMe | 3.89 | 1 |
| H20 | CH2 | 4.15 | 1 |
| H21 | CH2 | 4.15 | 1 |
| H23 | 5 | 7.08 | 1 |
| H24 | 2 | 7.41 | 1 |
| H22 | 6 | 7.49 | 1 |
| H25 | A | 9.85 | 1 |