Lignin_cw_compound_210 (C11 H14 O3)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 194.22706
This is of the category: Monomers
Concentration: Saturated (Source: Jamie Milhaupt)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 21.44 | 1 |
| C1 | B | 22.01 | 1 |
| C3 | OMe | 55.32 | 1 |
| C8 | A | 72.06 | 1 |
| C6 | 3 | 113.90 | 1 |
| C7 | 5 | 113.90 | 1 |
| C4 | 2 | 127.64 | 1 |
| C5 | 6 | 127.64 | 1 |
| C10 | 1 | 133.82 | 1 |
| C11 | 4 | 159.34 | 1 |
| C9 | AcC=O | 170.38 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 21.16 | 1 |
| C1 | B | 22.35 | 1 |
| C3 | OMe | 55.51 | 1 |
| C8 | A | 72.28 | 1 |
| C6 | 3 | 114.52 | 1 |
| C7 | 5 | 114.52 | 1 |
| C4 | 2 | 128.26 | 1 |
| C5 | 6 | 128.26 | 1 |
| C10 | 1 | 134.94 | 1 |
| C11 | 4 | 160.22 | 1 |
| C9 | AcC=O | 170.20 | 1 |
| H15 | B | 1.46 | 1 |
| H16 | B | 1.46 | 1 |
| H17 | B | 1.46 | 1 |
| H19 | AcMe | 1.98 | 1 |
| H18 | AcMe | 1.98 | 1 |
| H20 | AcMe | 1.98 | 1 |
| H23 | OMe | 3.78 | 1 |
| H22 | OMe | 3.78 | 1 |
| H21 | OMe | 3.78 | 1 |
| H28 | A | 5.79 | 1 |
| H26 | 3 | 6.90 | 1 |
| H27 | 5 | 6.90 | 1 |
| H24 | 2 | 7.30 | 1 |
| H25 | 6 | 7.30 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.92 | 1 |
| C1 | B | 21.76 | 1 |
| C3 | OMe | 54.98 | 1 |
| C8 | A | 71.18 | 1 |
| C6 | 3 | 113.63 | 1 |
| C7 | 5 | 113.63 | 1 |
| C4 | 2 | 127.28 | 1 |
| C5 | 6 | 127.28 | 1 |
| C10 | 1 | 133.52 | 1 |
| C11 | 4 | 158.69 | 1 |
| C9 | AcC=O | 169.49 | 1 |