Lignin_cw_compound_146 (C19 H20 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 344.3585
This is of the category: b-O-4 Dimers, 2-Carbon Sidechain
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 26.16 | 1 |
| C2 | OMe | 56.03 | 4 |
| C3 | OMe | 56.10 | 4 |
| C4 | OMe | 56.10 | 4 |
| C11 | B | 71.39 | 1 |
| C10 | A2 | 110.30 | 1 |
| C7 | A5 | 110.54 | 1 |
| C9 | B2 | 111.10 | 1 |
| C8 | B5 | 112.57 | 1 |
| C5 | B6 | 122.74 | 1 |
| C6 | A6 | 122.85 | 1 |
| C14 | A1 | 127.58 | 1 |
| C13 | B1 | 131.52 | 1 |
| C18 | A3 | 149.40 | 1 |
| C19 | B3 | 149.40 | 1 |
| C17 | B4 | 151.79 | 1 |
| C16 | A4 | 154.14 | 1 |
| C15 | A | 192.22 | 1 |
| C12 | BA | 196.56 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 26.29 | 1 |
| C2 | OMe | 56.21 | 4 |
| C3 | OMe | 56.30 | 4 |
| C4 | OMe | 56.36 | 4 |
| C11 | B | 71.71 | 1 |
| C10 | A2 | 111.63 | 1 |
| C7 | A5 | 111.77 | 1 |
| C9 | B2 | 112.29 | 1 |
| C8 | B5 | 113.55 | 1 |
| C5 | B6 | 123.45 | 1 |
| C6 | A6 | 123.54 | 1 |
| C14 | A1 | 128.67 | 1 |
| C13 | B1 | 132.02 | 1 |
| C18 | A3 | 150.32 | 1 |
| C19 | B3 | 150.32 | 1 |
| C17 | B4 | 153.19 | 1 |
| C16 | A4 | 155.19 | 1 |
| C15 | A | 192.90 | 1 |
| C12 | BA | 196.36 | 1 |
| H26 | BB | 2.50 | 1 |
| H27 | BB | 2.50 | 1 |
| H28 | BB | 2.50 | 1 |
| H29 | OMe | 3.87 | 4 |
| H30 | OMe | 3.87 | 4 |
| H31 | OMe | 3.87 | 4 |
| H32 | OMe | 3.89 | 4 |
| H33 | OMe | 3.89 | 4 |
| H34 | OMe | 3.89 | 4 |
| H36 | OMe | 3.90 | 4 |
| H35 | OMe | 3.90 | 4 |
| H37 | OMe | 3.90 | 4 |
| H44 | B | 5.56 | 1 |
| H45 | B | 5.56 | 1 |
| H41 | B5 | 6.94 | 1 |
| H40 | A5 | 7.07 | 1 |
| H39 | A6 | 7.75 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 26.22 | 1 |
| C2 | OMe | 55.59 | 4 |
| C3 | OMe | 55.63 | 4 |
| C4 | OMe | 55.78 | 4 |
| C11 | B | 70.30 | 1 |
| C10 | A2 | 110.32 | 1 |
| C7 | A5 | 110.92 | 1 |
| C9 | B2 | 111.03 | 1 |
| C8 | B5 | 112.28 | 1 |
| C5 | B6 | 122.58 | 1 |
| C6 | A6 | 122.58 | 1 |
| C14 | A1 | 127.08 | 1 |
| C13 | B1 | 130.24 | 1 |
| C18 | A3 | 148.54 | 1 |
| C19 | B3 | 148.69 | 1 |
| C17 | B4 | 151.73 | 1 |
| C16 | A4 | 153.61 | 1 |
| C15 | A | 192.24 | 1 |
| C12 | BA | 196.17 | 1 |