Lignin_cw_compound_192 (C10 H10 O5)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 210.1834
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 | 20.65 | 1 |
| C2 | OMe | 56.12 | 1 |
| C5 | 2 | 113.38 | 1 |
| C3 | 6 | 122.98 | 1 |
| C4 | 5 | 123.46 | 1 |
| C7 | 1 | 128.00 | 1 |
| C8 | 4 | 144.43 | 1 |
| C9 | 3 | 151.20 | 1 |
| C10 | A | 168.52 | 1 |
| C6 | AcC=O | 171.37 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.46 | 1 |
| C2 | OMe | 56.40 | 1 |
| C5 | 2 | 114.25 | 1 |
| C3 | 6 | 123.31 | 1 |
| C4 | 5 | 123.80 | 1 |
| C7 | 1 | 129.96 | 1 |
| C8 | 4 | 144.79 | 1 |
| C9 | 3 | 152.26 | 1 |
| C10 | A | 167.04 | 1 |
| C6 | AcC=O | 168.65 | 1 |
| H17 | AcMe | 2.28 | 1 |
| H16 | AcMe | 2.28 | 1 |
| H18 | AcMe | 2.28 | 1 |
| H19 | OMe | 3.90 | 1 |
| H20 | OMe | 3.90 | 1 |
| H21 | OMe | 3.90 | 1 |
| H24 | 2 | 7.70 | 1 |
| H22 | 6 | 7.67 | 1 |
| H23 | 5 | 7.19 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.37 | 1 |
| C2 | OMe | 55.90 | 1 |
| C5 | 2 | 113.18 | 1 |
| C3 | 6 | 122.16 | 1 |
| C4 | 5 | 123.05 | 1 |
| C7 | 1 | 129.58 | 1 |
| C8 | 4 | 142.98 | 1 |
| C9 | 3 | 150.82 | 1 |
| C10 | A | 166.66 | 1 |
| C6 | AcC=O | 168.21 | 1 |