Lignin_cw_compound_202 (C13 H16 O5)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 252.26314
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 | 20.69 | 4 |
| C3 | AcMe | 21.37 | 4 |
| C1 | B | 22.21 | 1 |
| C4 | OMe | 55.93 | 1 |
| C8 | A | 71.96 | 1 |
| C7 | 2 | 110.60 | 1 |
| C5 | 6 | 118.44 | 1 |
| C6 | 5 | 122.75 | 1 |
| C11 | 1 | 139.33 | 1 |
| C12 | 4 | 140.52 | 1 |
| C13 | 3 | 151.05 | 1 |
| C10 | 4AcC=O | 169.01 | 1 |
| C9 | AAcC=O | 170.21 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.47 | 4 |
| C3 | AcMe | 21.12 | 4 |
| C1 | B | 22.57 | 1 |
| C4 | OMe | 56.21 | 1 |
| C8 | A | 72.31 | 1 |
| C7 | 2 | 111.30 | 1 |
| C5 | 6 | 118.73 | 1 |
| C6 | 5 | 123.51 | 1 |
| C11 | 1 | 140.32 | 1 |
| C12 | 4 | 141.88 | 1 |
| C13 | 3 | 152.18 | 1 |
| C10 | 4AcC=O | 168.95 | 1 |
| C9 | AAcC=O | 170.17 | 1 |
| H21 | B | 1.49 | 1 |
| H20 | B | 1.49 | 1 |
| H19 | B | 1.49 | 1 |
| H23 | AcMe | 2.03 | 4 |
| H24 | AcMe | 2.03 | 4 |
| H22 | AcMe | 2.03 | 4 |
| H26 | AcMe | 2.22 | 4 |
| H25 | AcMe | 2.22 | 4 |
| H27 | AcMe | 2.22 | 4 |
| H29 | OMe | 3.82 | 1 |
| H30 | OMe | 3.82 | 1 |
| H28 | OMe | 3.82 | 1 |
| H34 | A | 5.83 | 1 |
| H31 | 6 | 6.95 | 1 |
| H32 | 5 | 7.02 | 1 |
| H33 | 2 | 7.11 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.28 | 4 |
| C3 | AcMe | 20.90 | 4 |
| C1 | B | 22.00 | 1 |
| C4 | OMe | 55.70 | 1 |
| C8 | A | 71.26 | 1 |
| C7 | 2 | 110.46 | 1 |
| C5 | 6 | 117.74 | 1 |
| C6 | 5 | 122.60 | 1 |
| C11 | 1 | 138.62 | 1 |
| C12 | 4 | 140.60 | 1 |
| C13 | 3 | 150.66 | 1 |
| C10 | 4AcC=O | 168.44 | 1 |
| C9 | AAcC=O | 169.55 | 1 |