Lignin_cw_compound_292 (C12 H18 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 226.26892
This is of the category: Monomers
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 10.06 | 1 |
| C5 | B | 31.84 | 1 |
| C2 | OMe | 55.86 | 1 |
| C3 | OMe | 55.86 | 1 |
| C4 | 4OMe | 60.57 | 1 |
| C9 | A | 75.80 | 1 |
| C6 | 2 | 102.68 | 1 |
| C7 | 6 | 102.68 | 1 |
| C12 | 4 | 136.84 | 1 |
| C8 | 1 | 140.60 | 1 |
| C10 | 3 | 152.96 | 1 |
| C11 | 5 | 152.96 | 1 |
| H17 | G | 0.93 | 1 |
| H18 | G | 0.93 | 1 |
| H19 | G | 0.93 | 1 |
| H29 | B | 1.76 | 1 |
| H30 | B | 1.76 | 1 |
| H26 | 4OMe | 3.82 | 1 |
| H27 | 4OMe | 3.82 | 1 |
| H28 | 4OMe | 3.82 | 1 |
| H20 | OMe | 3.86 | 1 |
| H21 | OMe | 3.86 | 1 |
| H22 | OMe | 3.86 | 1 |
| H23 | OMe | 3.86 | 1 |
| H24 | OMe | 3.86 | 1 |
| H25 | OMe | 3.86 | 1 |
| H9 | A | 4.52 | 1 |
| H6 | 2 | 6.58 | 1 |
| H7 | 6 | 6.58 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 10.58 | 1 |
| C5 | B | 33.20 | 1 |
| C2 | OMe | 56.32 | 1 |
| C3 | OMe | 56.32 | 1 |
| C4 | 4OMe | 60.44 | 1 |
| C9 | A | 75.69 | 1 |
| C6 | 2 | 104.06 | 1 |
| C7 | 6 | 104.06 | 1 |
| C12 | 4 | 137.95 | 1 |
| C8 | 1 | 142.75 | 1 |
| C10 | 3 | 154.08 | 1 |
| C11 | 5 | 154.08 | 1 |
| H17 | G | 0.89 | 1 |
| H18 | G | 0.89 | 1 |
| H19 | G | 0.89 | 1 |
| H29 | B | 1.67 | 1 |
| H30 | B | 1.67 | 1 |
| H26 | 4OMe | 3.68 | 1 |
| H27 | 4OMe | 3.68 | 1 |
| H28 | 4OMe | 3.68 | 1 |
| H20 | OMe | 3.79 | 1 |
| H21 | OMe | 3.79 | 1 |
| H22 | OMe | 3.79 | 1 |
| H23 | OMe | 3.79 | 1 |
| H24 | OMe | 3.79 | 1 |
| H25 | OMe | 3.79 | 1 |
| H9 | A | 4.12 | 1 |
| H34 | AOH | 4.48 | 1 |
| H6 | 2 | 4.48 | 1 |
| H7 | 6 | 6.65 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 10.29 | 1 |
| C5 | B | 32.08 | 1 |
| C2 | OMe | 55.78 | 1 |
| C3 | OMe | 55.78 | 1 |
| C4 | 4OMe | 59.98 | 1 |
| C9 | A | 73.81 | 1 |
| C6 | 2 | 103.00 | 1 |
| C7 | 6 | 103.00 | 1 |
| C12 | 4 | 136.05 | 1 |
| C8 | 1 | 142.09 | 1 |
| C10 | 3 | 152.55 | 1 |
| C11 | 5 | 152.55 | 1 |
| H17 | G | 0.81 | 1 |
| H18 | G | 0.81 | 1 |
| H19 | G | 0.81 | 1 |
| H29 | B | 1.56 | 1 |
| H30 | B | 1.56 | 1 |
| H26 | 4OMe | 3.60 | 1 |
| H27 | 4OMe | 3.60 | 1 |
| H28 | 4OMe | 3.60 | 1 |
| H20 | OMe | 3.73 | 1 |
| H21 | OMe | 3.73 | 1 |
| H22 | OMe | 3.73 | 1 |
| H23 | OMe | 3.73 | 1 |
| H24 | OMe | 3.73 | 1 |
| H25 | OMe | 3.73 | 1 |
| H9 | A | 4.35 | 1 |
| H34 | AOH | 5.08 | 1 |
| H6 | 2 | 6.59 | 1 |
| H7 | 6 | 6.59 | 1 |