Dehydrodivanillin (C16 H14 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 302.27876
This is of the category: 5-5 Dimers
Concentration: 50 mg/ml (Source: John Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| H25 | OMe | 3.95 | 1 |
| H23 | OMe | 3.95 | 1 |
| H24 | OMe | 3.95 | 1 |
| H27 | OMe | 3.95 | 1 |
| H28 | OMe | 3.95 | 1 |
| H26 | OMe | 3.95 | 1 |
| H31 | 2 | 7.42 | 1 |
| H32 | 2 | 7.42 | 1 |
| H29 | 6 | 7.55 | 1 |
| H30 | 6 | 7.55 | 1 |
| H33 | A | 9.84 | 1 |
| H34 | A | 9.84 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.94 | 1 |
| C2 | OMe | 55.94 | 1 |
| C5 | 2 | 109.08 | 1 |
| C6 | 2 | 109.08 | 1 |
| C3 | 6 | 124.54 | 1 |
| C4 | 6 | 124.54 | 1 |
| C11 | 5 | 127.61 | 1 |
| C12 | 5 | 127.61 | 1 |
| C9 | 1 | 128.05 | 1 |
| C10 | 1 | 128.05 | 1 |
| C15 | 4 | 148.12 | 1 |
| C16 | 4 | 148.12 | 1 |
| C13 | 3 | 152.93 | 1 |
| C14 | 3 | 152.93 | 1 |
| C7 | A | 190.97 | 1 |
| C8 | A | 190.97 | 1 |
| H25 | OMe | 3.94 | 1 |
| H23 | OMe | 3.94 | 1 |
| H24 | OMe | 3.94 | 1 |
| H27 | OMe | 3.94 | 1 |
| H28 | OMe | 3.94 | 1 |
| H26 | OMe | 3.94 | 1 |
| H31 | 2 | 7.44 | 1 |
| H32 | 2 | 7.44 | 1 |
| H29 | 6 | 7.44 | 1 |
| H30 | 6 | 7.44 | 1 |
| H33 | A | 9.81 | 1 |
| H34 | A | 9.81 | 1 |