3,4-dimethoxybenzylacetate (C11 H14 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 210.22646
This is of the category: Monomers
Concentration: 96 mg/ml (Source: Mike Mozuch)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 21.03 | 1 |
| C2 | OMe | 55.96 | 1 |
| C3 | OMe | 55.96 | 1 |
| C7 | A | 66.38 | 1 |
| C6 | 2 | 111.27 | 1 |
| C5 | 5 | 112.06 | 1 |
| C4 | 6 | 121.33 | 1 |
| C9 | 1 | 128.60 | 1 |
| C11 | 3 | 149.14 | 1 |
| C10 | 4 | 149.26 | 1 |
| C8 | AcC=O | 170.82 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.83 | 1 |
| C2 | OMe | 56.18 | 1 |
| C3 | OMe | 56.18 | 1 |
| C7 | A | 66.53 | 1 |
| C6 | 2 | 112.76 | 1 |
| C5 | 5 | 113.50 | 1 |
| C4 | 6 | 121.90 | 1 |
| C9 | 1 | 129.99 | 1 |
| C11 | 3 | 150.38 | 1 |
| C10 | 4 | 150.45 | 1 |
| C8 | AcC=O | 170.85 | 1 |
| H17 | AcMe | 2.01 | 1 |
| H18 | AcMe | 2.01 | 1 |
| H16 | AcMe | 2.01 | 1 |
| H19 | OMe | 3.79 | 4 |
| H21 | OMe | 3.79 | 4 |
| H20 | OMe | 3.79 | 4 |
| H22 | OMe | 3.80 | 4 |
| H23 | OMe | 3.80 | 4 |
| H24 | OMe | 3.80 | 4 |
| H28 | A | 5.00 | 1 |
| H29 | A | 5.00 | 1 |
| H26 | 5 | 6.91 | 1 |
| H25 | 6 | 6.91 | 1 |
| H27 | 2 | 6.98 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.66 | 1 |
| C2 | OMe | 55.50 | 1 |
| C3 | OMe | 55.50 | 1 |
| C7 | A | 65.47 | 1 |
| C6 | 2 | 111.70 | 1 |
| C5 | 5 | 112.34 | 1 |
| C4 | 6 | 120.88 | 1 |
| C9 | 1 | 128.45 | 1 |
| C11 | 3 | 148.66 | 1 |
| C10 | 4 | 148.75 | 1 |
| C8 | AcC=O | 170.15 | 1 |