Lignin_cw_compound_191 (C12 H14 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 254.23596
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 |
|---|---|---|---|
| C1 | AcMe | 20.40 | 1 |
| C4 | AOMe | 52.34 | 1 |
| C2 | OMe | 56.32 | 1 |
| C3 | OMe | 56.32 | 1 |
| C5 | 2 | 106.34 | 1 |
| C6 | 6 | 106.34 | 1 |
| C8 | 1 | 128.10 | 1 |
| C11 | 4 | 132.63 | 1 |
| C9 | 3 | 152.10 | 1 |
| C10 | 5 | 152.10 | 1 |
| C12 | A | 166.37 | 1 |
| C7 | AcC=O | 168.14 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.22 | 1 |
| C4 | AOMe | 52.57 | 1 |
| C2 | OMe | 56.68 | 1 |
| C3 | OMe | 56.68 | 1 |
| C5 | 2 | 106.87 | 1 |
| C6 | 6 | 106.87 | 1 |
| C8 | 1 | 129.04 | 1 |
| C11 | 4 | 133.69 | 1 |
| C9 | 3 | 153.27 | 1 |
| C10 | 5 | 153.27 | 1 |
| C12 | A | 166.61 | 1 |
| C7 | AcC=O | 168.17 | 1 |
| H20 | AcMe | 2.26 | 1 |
| H19 | AcMe | 2.26 | 1 |
| H21 | AcMe | 2.26 | 1 |
| H28 | AOMe | 3.88 | 1 |
| H29 | AOMe | 3.88 | 1 |
| H30 | AOMe | 3.88 | 1 |
| H24 | OMe | 3.87 | 1 |
| H23 | OMe | 3.87 | 1 |
| H22 | OMe | 3.87 | 1 |
| H25 | OMe | 3.87 | 1 |
| H27 | OMe | 3.87 | 1 |
| H26 | OMe | 3.87 | 1 |
| H31 | 2 | 7.33 | 1 |
| H32 | 6 | 7.33 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.06 | 1 |
| C4 | AOMe | 52.36 | 1 |
| C2 | OMe | 56.17 | 1 |
| C3 | OMe | 56.17 | 1 |
| C5 | 2 | 105.79 | 1 |
| C6 | 6 | 105.79 | 1 |
| C8 | 1 | 127.70 | 1 |
| C11 | 4 | 131.96 | 1 |
| C9 | 3 | 151.81 | 1 |
| C10 | 5 | 151.81 | 1 |
| C12 | A | 165.75 | 1 |
| C7 | AcC=O | 167.67 | 1 |