5-5, Dehydrodiferulic Acid (C20 H18 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 386.35212
This is of the category: 5-5 Dimers
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | OMe | 56.52 | 4 |
| C17 | OMe | 56.52 | 4 |
| C7 | 2 | 109.97 | 4 |
| C8 | 2 | 109.97 | 4 |
| C5 | B | 116.28 | 4 |
| C6 | B | 116.28 | 4 |
| C15 | 5 | 125.62 | 4 |
| C16 | 5 | 125.62 | 4 |
| C9 | 6 | 126.07 | 4 |
| C10 | 6 | 126.07 | 4 |
| C11 | 1 | 126.60 | 4 |
| C12 | 1 | 126.60 | 4 |
| C3 | A | 145.89 | 4 |
| C4 | A | 145.89 | 4 |
| C19 | 4 | 147.38 | 4 |
| C20 | 4 | 147.38 | 4 |
| C13 | 3 | 148.92 | 4 |
| C14 | 3 | 148.92 | 4 |
| C17 | G | 168.36 | 4 |
| C18 | G | 168.36 | 4 |
| H29 | OMe | 3.97 | 4 |
| H30 | OMe | 3.97 | 4 |
| H31 | OMe | 3.97 | 4 |
| H34 | OMe | 3.97 | 4 |
| H33 | OMe | 3.97 | 4 |
| H32 | OMe | 3.97 | 4 |
| H35 | B | 6.42 | 4 |
| H38 | B | 6.42 | 4 |
| H39 | 6 | 7.21 | 4 |
| H40 | 6 | 7.21 | 4 |
| H41 | 2 | 7.35 | 4 |
| H41 | 2 | 7.35 | 4 |
| H35 | A | 7.64 | 4 |
| H36 | A | 7.64 | 4 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | OMe | 56.04 | 1 |
| C17 | OMe | 56.04 | 1 |
| C7 | 2 | 109.44 | 1 |
| C8 | 2 | 109.44 | 1 |
| C5 | B | 115.82 | 1 |
| C6 | B | 115.82 | 1 |
| C15 | 5 | 125.20 | 1 |
| C16 | 5 | 125.20 | 1 |
| C9 | 6 | 125.05 | 1 |
| C10 | 6 | 125.05 | 1 |
| C11 | 1 | 124.83 | 1 |
| C12 | 1 | 124.83 | 1 |
| C3 | A | 144.56 | 1 |
| C4 | A | 144.56 | 1 |
| C19 | 4 | 146.43 | 1 |
| C20 | 4 | 146.43 | 1 |
| C13 | 3 | 147.90 | 1 |
| C14 | 3 | 147.90 | 1 |
| C17 | G | 167.94 | 1 |
| C18 | G | 167.94 | 1 |