Lignin_cw_compound_205 (C10 H12 O3)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 180.20048
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 | 21.01 | 1 |
| C2 | OMe | 55.23 | 1 |
| C7 | A | 66.07 | 1 |
| C5 | 3 | 113.94 | 1 |
| C6 | 5 | 113.94 | 1 |
| C9 | 1 | 128.10 | 1 |
| C3 | 2 | 130.08 | 1 |
| C4 | 6 | 130.08 | 1 |
| C10 | 4 | 159.65 | 1 |
| C8 | AcC=O | 170.85 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.85 | 1 |
| C2 | OMe | 55.53 | 1 |
| C7 | A | 66.25 | 1 |
| C5 | 3 | 114.60 | 1 |
| C6 | 5 | 114.60 | 1 |
| C9 | 1 | 129.43 | 1 |
| C3 | 2 | 130.78 | 1 |
| C4 | 6 | 130.78 | 1 |
| C10 | 4 | 160.57 | 1 |
| C8 | AcC=O | 170.85 | 1 |
| H15 | AcMe | 2.00 | 1 |
| H14 | AcMe | 2.00 | 1 |
| H16 | AcMe | 2.00 | 1 |
| H17 | OMe | 3.78 | 1 |
| H19 | OMe | 3.78 | 1 |
| H18 | OMe | 3.78 | 1 |
| H24 | A | 5.01 | 1 |
| H25 | A | 5.01 | 1 |
| H22 | 3 | 6.91 | 1 |
| H23 | 5 | 6.91 | 1 |
| H20 | 2 | 7.31 | 1 |
| H21 | 6 | 7.31 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.61 | 1 |
| C2 | OMe | 54.98 | 1 |
| C7 | A | 65.18 | 1 |
| C5 | 3 | 113.70 | 1 |
| C6 | 5 | 113.70 | 1 |
| C9 | 1 | 128.03 | 1 |
| C3 | 2 | 129.85 | 1 |
| C4 | 6 | 129.85 | 1 |
| C10 | 4 | 159.07 | 1 |
| C8 | AcC=O | 170.13 | 1 |