Methylveratrate (C10 H12 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 196.19988
This is of the category: Monomers
Concentration: 110 mg/ml (Source: John Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | AOMe | 51.93 | 1 |
| C1 | OMe | 55.99 | 1 |
| C2 | OMe | 55.99 | 1 |
| C6 | 2 | 110.32 | 1 |
| C5 | 5 | 112.05 | 1 |
| C7 | 1 | 122.71 | 1 |
| C4 | 6 | 123.58 | 1 |
| C9 | 3 | 148.65 | 1 |
| C8 | 4 | 153.00 | 1 |
| C10 | A | 166.82 | 1 |
| H23 | AOMe | 3.89 | 1 |
| H21 | AOMe | 3.89 | 1 |
| H22 | AOMe | 3.89 | 1 |
| H15 | OMe | 3.93 | 1 |
| H17 | OMe | 3.93 | 1 |
| H16 | OMe | 3.93 | 1 |
| H18 | OMe | 3.93 | 1 |
| H19 | OMe | 3.93 | 1 |
| H20 | OMe | 3.93 | 1 |
| H26 | 2 | 7.54 | 1 |
| H25 | 5 | 6.88 | 1 |
| H24 | 6 | 7.67 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | AOMe | 52.00 | 1 |
| C1 | OMe | 56.10 | 1 |
| C2 | OMe | 56.10 | 1 |
| C6 | 2 | 111.65 | 1 |
| C5 | 5 | 112.99 | 1 |
| C7 | 1 | 123.37 | 1 |
| C4 | 6 | 124.08 | 1 |
| C9 | 3 | 149.90 | 1 |
| C8 | 4 | 154.38 | 1 |
| C10 | A | 166.92 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | AOMe | 51.79 | 1 |
| C1 | OMe | 55.50 | 4 |
| C2 | OMe | 55.66 | 4 |
| C6 | 2 | 111.07 | 1 |
| C5 | 5 | 111.70 | 1 |
| C7 | 1 | 121.84 | 1 |
| C4 | 6 | 123.13 | 1 |
| C9 | 3 | 148.46 | 1 |
| C8 | 4 | 152.98 | 1 |
| C10 | A | 165.96 | 1 |