Veratrole (C8 H10 O2)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 138.1638
This is of the category: Monomers
Concentration: 80 mg/ml (Source: Aldrich)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.80 | 1 |
| C2 | OMe | 55.80 | 1 |
| C5 | 2 | 111.44 | 1 |
| C6 | 5 | 111.44 | 1 |
| C3 | 1 | 120.85 | 1 |
| C4 | 6 | 120.85 | 1 |
| C7 | 3 | 149.08 | 1 |
| C8 | 4 | 149.08 | 1 |
| H11 | OMe | 3.86 | 1 |
| H13 | OMe | 3.86 | 1 |
| H12 | OMe | 3.86 | 1 |
| H14 | OMe | 3.86 | 1 |
| H16 | OMe | 3.86 | 1 |
| H15 | OMe | 3.86 | 1 |
| H19 | 2 | 6.89 | 1 |
| H20 | 5 | 6.89 | 1 |
| H17 | 1 | 6.89 | 1 |
| H18 | 6 | 6.89 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.01 | 1 |
| C2 | OMe | 56.01 | 1 |
| C5 | 2 | 113.02 | 1 |
| C6 | 5 | 113.02 | 1 |
| C3 | 1 | 121.60 | 1 |
| C4 | 6 | 121.60 | 1 |
| C7 | 3 | 150.50 | 1 |
| C8 | 4 | 150.50 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.38 | 1 |
| C2 | OMe | 55.38 | 1 |
| C5 | 2 | 111.98 | 1 |
| C6 | 5 | 111.98 | 1 |
| C3 | 1 | 120.67 | 1 |
| C4 | 6 | 120.67 | 1 |
| C7 | 3 | 148.88 | 1 |
| C8 | 4 | 148.88 | 1 |