Lignin_cw_compound_126 (C16 H18 O5)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 290.31112
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 | OMe | 55.90 | 4 |
| C2 | OMe | 55.97 | 4 |
| C13 | A | 72.20 | 1 |
| C10 | B | 76.50 | 1 |
| C9 | A2 | 108.87 | 1 |
| C5 | B2 | 112.16 | 1 |
| C8 | A5 | 114.26 | 1 |
| C6 | B5 | 116.21 | 1 |
| C7 | A6 | 119.37 | 1 |
| C4 | B6 | 121.13 | 1 |
| C3 | B1 | 122.58 | 1 |
| C11 | A1 | 131.61 | 1 |
| C12 | A4 | 145.46 | 1 |
| C16 | A3 | 146.68 | 1 |
| C14 | B3 | 148.10 | 1 |
| C15 | B4 | 150.26 | 1 |
| H23 | OMe | 3.88 | 4 |
| H22 | OMe | 3.88 | 4 |
| H24 | OMe | 3.88 | 4 |
| H27 | OMe | 3.89 | 4 |
| H26 | OMe | 3.89 | 4 |
| H25 | OMe | 3.89 | 4 |
| H37 | A | 5.02 | 1 |
| H35 | B1 | 3.93 | 1 |
| H36 | B2 | 4.15 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.28 | 4 |
| C2 | OMe | 56.35 | 4 |
| C13 | A | 72.71 | 1 |
| C10 | B | 76.32 | 1 |
| C9 | A2 | 111.01 | 1 |
| C5 | B2 | 113.67 | 1 |
| C8 | A5 | 115.37 | 1 |
| C6 | B5 | 115.93 | 1 |
| C7 | A6 | 119.89 | 1 |
| C4 | B6 | 121.83 | 1 |
| C3 | B1 | 122.45 | 1 |
| C11 | A1 | 134.17 | 1 |
| C12 | A4 | 146.84 | 1 |
| C16 | A3 | 148.12 | 1 |
| C14 | B3 | 149.74 | 1 |
| C15 | B4 | 151.06 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.52 | 1 |
| C2 | OMe | 55.52 | 1 |
| C13 | A | 70.81 | 1 |
| C10 | B | 74.15 | 1 |
| C9 | A2 | 110.75 | 1 |
| C5 | B2 | 112.51 | 1 |
| C8 | A5 | 113.75 | 1 |
| C6 | B5 | 114.92 | 1 |
| C7 | A6 | 118.67 | 1 |
| C4 | B6 | 120.74 | 1 |
| C3 | B1 | 120.92 | 1 |
| C11 | A1 | 133.46 | 1 |
| C12 | A4 | 145.66 | 1 |
| C16 | A3 | 147.21 | 1 |
| C14 | B3 | 148.23 | 1 |
| C15 | B4 | 149.10 | 1 |