Vanillin (C8 H8 O3)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 152.14732
This is of the category: Monomers
Concentration: 132 mg/ml (Source: John Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.07 | 1 |
| C4 | 2 | 109.02 | 1 |
| C3 | 5 | 114.59 | 1 |
| C2 | 6 | 127.57 | 1 |
| C6 | 1 | 129.70 | 1 |
| C8 | 3 | 147.34 | 1 |
| C7 | 4 | 151.99 | 1 |
| C5 | A | 191.16 | 1 |
| H12 | OMe | 3.92 | 1 |
| H13 | OMe | 3.92 | 1 |
| H14 | OMe | 3.92 | 1 |
| H17 | 2 | 7.41 | 1 |
| H16 | 5 | 7.04 | 1 |
| H15 | 6 | 7.44 | 1 |
| H18 | A | 9.81 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.24 | 1 |
| C4 | 2 | 110.82 | 1 |
| C3 | 5 | 115.87 | 1 |
| C2 | 6 | 126.98 | 1 |
| C6 | 1 | 130.62 | 1 |
| C8 | 3 | 148.86 | 1 |
| C7 | 4 | 153.45 | 1 |
| C5 | A | 191.07 | 1 |
| H12 | OMe | 3.91 | 1 |
| H13 | OMe | 3.91 | 1 |
| H14 | OMe | 3.91 | 1 |
| H17 | 2 | 7.46 | 1 |
| H16 | 5 | 7.00 | 1 |
| H15 | 6 | 7.43 | 1 |
| H18 | A | 9.81 | 1 |
| H19 | OH | 8.30 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.52 | 1 |
| C4 | 2 | 110.63 | 1 |
| C3 | 5 | 115.36 | 1 |
| C2 | 6 | 126.04 | 1 |
| C6 | 1 | 128.70 | 1 |
| C8 | 3 | 148.12 | 1 |
| C7 | 4 | 153.00 | 1 |
| C5 | A | 190.89 | 1 |