Lignin_cw_compound_154 (C16 H16 O5)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 288.29524
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 | 55.95 | 4 |
| C2 | OMe | 56.12 | 4 |
| C10 | B | 72.08 | 1 |
| C9 | A2 | 110.31 | 1 |
| C5 | B2 | 112.31 | 1 |
| C8 | A5 | 114.06 | 1 |
| C6 | B5 | 114.88 | 1 |
| C4 | B6 | 120.86 | 1 |
| C28 | B1 | 122.38 | 1 |
| C7 | A6 | 123.41 | 1 |
| C11 | A1 | 127.62 | 1 |
| C16 | A3 | 146.86 | 1 |
| C14 | B3 | 147.69 | 1 |
| C15 | B4 | 149.82 | 1 |
| C12 | A4 | 151.02 | 1 |
| C13 | A | 193.17 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.26 | 1 |
| C2 | OMe | 56.26 | 1 |
| C10 | B | 72.42 | 1 |
| C9 | A2 | 111.84 | 1 |
| C5 | B2 | 113.68 | 1 |
| C8 | A5 | 115.42 | 1 |
| C6 | B5 | 115.71 | 1 |
| C4 | B6 | 121.48 | 1 |
| C28 | B1 | 122.55 | 1 |
| C7 | A6 | 123.94 | 1 |
| C11 | A1 | 128.24 | 1 |
| C16 | A3 | 148.30 | 1 |
| C14 | B3 | 149.14 | 1 |
| C15 | B4 | 150.86 | 1 |
| C12 | A4 | 152.69 | 1 |
| C13 | A | 193.27 | 1 |
| H22 | OMe | 3.83 | 4 |
| H23 | OMe | 3.83 | 4 |
| H24 | OMe | 3.83 | 4 |
| H25 | OMe | 3.92 | 4 |
| H26 | OMe | 3.92 | 4 |
| H27 | OMe | 3.92 | 4 |
| H35 | B | 5.36 | 1 |
| H36 | B | 5.36 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.54 | 4 |
| C2 | OMe | 55.62 | 4 |
| C10 | B | 70.46 | 1 |
| C9 | A2 | 111.21 | 1 |
| C5 | B2 | 112.50 | 1 |
| C8 | A5 | 113.70 | 1 |
| C6 | B5 | 115.00 | 1 |
| C4 | B6 | 120.46 | 1 |
| C28 | B1 | 121.19 | 1 |
| C7 | A6 | 122.79 | 1 |
| C11 | A1 | 126.18 | 1 |
| C16 | A3 | 147.56 | 1 |
| C14 | B3 | 147.56 | 1 |
| C15 | B4 | 148.96 | 1 |
| C12 | A4 | 152.18 | 1 |
| C13 | A | 192.60 | 1 |