Lignin_cw_compound_2007 (C18 H18 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 298.33312
This is of the category: Misc. Compounds
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.89 | 1 |
| C2 | OMe | 55.89 | 1 |
| C11 | 2 | 107.95 | 1 |
| C12 | 2 | 107.95 | 1 |
| C9 | 5 | 114.55 | 1 |
| C10 | 5 | 114.55 | 1 |
| C7 | 6 | 120.29 | 1 |
| C8 | 6 | 120.29 | 1 |
| C3 | B | 127.35 | 1 |
| C4 | B | 127.35 | 1 |
| C13 | 1 | 130.25 | 1 |
| C14 | 1 | 130.25 | 1 |
| C5 | A | 131.72 | 1 |
| C6 | A | 131.72 | 1 |
| C15 | 4 | 145.45 | 1 |
| C16 | 4 | 145.45 | 1 |
| C17 | 3 | 146.69 | 1 |
| C18 | 3 | 146.69 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.21 | 1 |
| C2 | OMe | 56.21 | 1 |
| C11 | 2 | 109.76 | 1 |
| C12 | 2 | 109.76 | 1 |
| C9 | 5 | 115.96 | 1 |
| C10 | 5 | 115.96 | 1 |
| C7 | 6 | 120.95 | 1 |
| C8 | 6 | 120.95 | 1 |
| C3 | B | 128.07 | 1 |
| C4 | B | 128.07 | 1 |
| C13 | 1 | 130.81 | 1 |
| C14 | 1 | 130.81 | 1 |
| C5 | A | 132.49 | 1 |
| C6 | A | 132.49 | 1 |
| C15 | 4 | 147.41 | 1 |
| C16 | 4 | 147.41 | 1 |
| C17 | 3 | 148.60 | 1 |
| C18 | 3 | 148.60 | 1 |
| H24 | OMe | 3.87 | 1 |
| H25 | OMe | 3.87 | 1 |
| H23 | OMe | 3.87 | 1 |
| H27 | OMe | 3.87 | 1 |
| H28 | OMe | 3.87 | 1 |
| H26 | OMe | 3.87 | 1 |
| H31 | A | 6.56 | 1 |
| H32 | A | 6.56 | 1 |
| H35 | A5 | 6.78 | 1 |
| H36 | A5 | 6.78 | 1 |
| H29 | B | 6.885 | 1 |
| H30 | B | 6.885 | 1 |
| H33 | A6 | 6.885 | 1 |
| H34 | A6 | 6.885 | 1 |
| H37 | A2 | 7.12 | 1 |
| H38 | A2 | 7.12 | 1 |
| H39 | ArOH | 7.71 | 1 |
| H40 | ArOH | 7.71 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.55 | 1 |
| C2 | OMe | 55.55 | 1 |
| C11 | 2 | 109.38 | 1 |
| C12 | 2 | 109.38 | 1 |
| C9 | 5 | 115.55 | 1 |
| C10 | 5 | 115.55 | 1 |
| C7 | 6 | 119.81 | 1 |
| C8 | 6 | 119.81 | 1 |
| C3 | B | 126.90 | 1 |
| C4 | B | 126.90 | 1 |
| C13 | 1 | 128.96 | 1 |
| C14 | 1 | 128.96 | 1 |
| C5 | A | 131.37 | 1 |
| C6 | A | 131.37 | 1 |
| C15 | 4 | 146.43 | 1 |
| C16 | 4 | 146.43 | 1 |
| C17 | 3 | 147.80 | 1 |
| C18 | 3 | 147.80 | 1 |