Lignin_cw_compound_196 (C14 H16 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 280.27324
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 | 20.36 | 1 |
| C4 | GOMe | 51.68 | 1 |
| C2 | OMe | 56.12 | 1 |
| C3 | OMe | 56.12 | 1 |
| C7 | 2 | 104.65 | 1 |
| C8 | 6 | 104.65 | 1 |
| C6 | B | 118.05 | 1 |
| C14 | 4 | 130.40 | 1 |
| C10 | 1 | 132.64 | 1 |
| C5 | A | 144.51 | 1 |
| C11 | 3 | 152.38 | 1 |
| C12 | 5 | 152.38 | 1 |
| C13 | G | 167.11 | 1 |
| C9 | AcC=O | 168.39 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.23 | 1 |
| C4 | GOMe | 51.70 | 1 |
| C2 | OMe | 56.61 | 1 |
| C3 | OMe | 56.61 | 1 |
| C7 | 2 | 105.83 | 1 |
| C8 | 6 | 105.83 | 1 |
| C6 | B | 118.97 | 1 |
| C14 | 4 | 131.45 | 1 |
| C10 | 1 | 133.56 | 1 |
| C5 | A | 145.15 | 1 |
| C11 | 3 | 153.53 | 1 |
| C12 | 5 | 153.53 | 1 |
| C13 | G | 167.44 | 1 |
| C9 | AcC=O | 168.38 | 1 |
| H22 | AcMe | 2.25 | 1 |
| H21 | AcMe | 2.25 | 1 |
| H23 | AcMe | 2.25 | 1 |
| H30 | GOMe | 3.75 | 1 |
| H32 | GOMe | 3.75 | 1 |
| H31 | GOMe | 3.75 | 1 |
| H26 | OMe | 3.87 | 1 |
| H25 | OMe | 3.87 | 1 |
| H24 | OMe | 3.87 | 1 |
| H27 | OMe | 3.87 | 1 |
| H29 | OMe | 3.87 | 1 |
| H28 | OMe | 3.87 | 1 |
| H35 | 2 | 7.08 | 1 |
| H36 | 6 | 7.08 | 1 |
| H33 | B | 6.58 | 1 |
| H34 | A | 7.62 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.00 | 1 |
| C4 | GOMe | 51.34 | 1 |
| C2 | OMe | 56.08 | 1 |
| C3 | OMe | 56.08 | 1 |
| C7 | 2 | 105.24 | 1 |
| C8 | 6 | 105.24 | 1 |
| C6 | B | 118.18 | 1 |
| C14 | 4 | 129.60 | 1 |
| C10 | 1 | 132.30 | 1 |
| C5 | A | 144.26 | 1 |
| C11 | 3 | 151.90 | 1 |
| C12 | 5 | 151.90 | 1 |
| C13 | G | 166.57 | 1 |
| C9 | AcC=O | 167.83 | 1 |