Lignin_cw_compound_125 (C14 H14 O3)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 230.25916
This is of the category: b-O-4 Dimers, 2-Carbon Sidechain
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C14 | A | 72.31 | 1 |
| C10 | B | 73.25 | 1 |
| C4 | B3 | 114.73 | 1 |
| C5 | B5 | 114.73 | 1 |
| C8 | A3 | 115.51 | 1 |
| C9 | A5 | 115.51 | 1 |
| C1 | B1 | 121.33 | 1 |
| C6 | A2 | 127.80 | 1 |
| C7 | A6 | 127.80 | 1 |
| C2 | B2 | 129.55 | 1 |
| C3 | B6 | 129.55 | 1 |
| C11 | A1 | 131.68 | 1 |
| C12 | A4 | 155.77 | 1 |
| C13 | B4 | 158.41 | 1 |
| H29 | A | 5.05 | 1 |
| H27 | B | 4.05 | 1 |
| H28 | B | 4.05 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C14 | A | 72.42 | 1 |
| C10 | B | 74.32 | 1 |
| C4 | B3 | 115.43 | 1 |
| C5 | B5 | 115.43 | 1 |
| C8 | A3 | 115.76 | 1 |
| C9 | A5 | 115.76 | 1 |
| C1 | B1 | 121.37 | 1 |
| C6 | A2 | 128.39 | 1 |
| C7 | A6 | 128.39 | 1 |
| C2 | B2 | 130.12 | 1 |
| C3 | B6 | 130.12 | 1 |
| C11 | A1 | 133.53 | 1 |
| C12 | A4 | 157.61 | 1 |
| C13 | B4 | 159.84 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C14 | A | 70.55 | 1 |
| C10 | B | 73.07 | 1 |
| C4 | B3 | 114.49 | 1 |
| C5 | B5 | 114.49 | 1 |
| C8 | A3 | 114.74 | 1 |
| C9 | A5 | 114.74 | 1 |
| C1 | B1 | 120.38 | 1 |
| C6 | A2 | 127.42 | 1 |
| C7 | A6 | 127.42 | 1 |
| C2 | B2 | 129.32 | 1 |
| C3 | B6 | 129.32 | 1 |
| C11 | A1 | 132.63 | 1 |
| C12 | A4 | 156.54 | 1 |
| C13 | B4 | 158.52 | 1 |