Vanillic Acid Methyl Ester (C9 H10 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 182.1733
This is of the category: Monomers
Concentration: 202 mg/ml (Source: John Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AOMe | 52.02 | 1 |
| C1 | 4OMe | 56.07 | 1 |
| C5 | 2 | 111.98 | 1 |
| C4 | 5 | 114.33 | 1 |
| C6 | 1 | 122.13 | 1 |
| C3 | 6 | 124.23 | 1 |
| C8 | 3 | 146.41 | 1 |
| C7 | 4 | 150.29 | 1 |
| C9 | A | 167.12 | 1 |
| H19 | AOMe | 3.88 | 1 |
| H17 | AOMe | 3.88 | 1 |
| H18 | AOMe | 3.88 | 1 |
| H20 | 4OMe | 3.88 | 1 |
| H21 | 4OMe | 3.88 | 1 |
| H22 | 4OMe | 3.88 | 1 |
| H22 | 2 | 7.53 | 1 |
| H21 | 5 | 6.93 | 1 |
| H20 | 6 | 7.62 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AOMe | 52.00 | 1 |
| C1 | 4OMe | 56.29 | 1 |
| C5 | 2 | 113.20 | 1 |
| C4 | 5 | 115.58 | 1 |
| C6 | 1 | 122.43 | 1 |
| C3 | 6 | 124.53 | 1 |
| C8 | 3 | 148.08 | 1 |
| C7 | 4 | 152.14 | 1 |
| C9 | A | 167.15 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AOMe | 51.64 | 1 |
| C1 | 4OMe | 55.60 | 1 |
| C5 | 2 | 112.54 | 1 |
| C4 | 5 | 115.19 | 1 |
| C6 | 1 | 120.52 | 1 |
| C3 | 6 | 123.44 | 1 |
| C8 | 3 | 147.36 | 1 |
| C7 | 4 | 151.53 | 1 |
| C9 | A | 166.06 | 1 |