Lignin_cw_compound_204 (C12 H16 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 224.25304
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 | 21.39 | 1 |
| C1 | B | 21.99 | 1 |
| C3 | OMe | 55.91 | 1 |
| C4 | OMe | 55.91 | 1 |
| C8 | A | 72.20 | 1 |
| C7 | 2 | 109.69 | 1 |
| C6 | 5 | 111.06 | 1 |
| C5 | 6 | 118.64 | 1 |
| C10 | 1 | 134.19 | 1 |
| C11 | 4 | 148.76 | 1 |
| C12 | 3 | 148.96 | 1 |
| C9 | AcC=O | 170.29 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 21.18 | 1 |
| C1 | B | 22.41 | 1 |
| C3 | OMe | 56.13 | 1 |
| C4 | OMe | 56.13 | 1 |
| C8 | A | 72.51 | 1 |
| C7 | 2 | 111.16 | 1 |
| C6 | 5 | 112.63 | 1 |
| C5 | 6 | 119.25 | 1 |
| C10 | 1 | 135.54 | 1 |
| C11 | 4 | 150.01 | 1 |
| C12 | 3 | 150.29 | 1 |
| C9 | AcC=O | 170.21 | 1 |
| H19 | B | 1.47 | 1 |
| H18 | B | 1.47 | 1 |
| H17 | B | 1.47 | 1 |
| H21 | AcMe | 2.00 | 1 |
| H22 | AcMe | 2.00 | 1 |
| H20 | AcMe | 2.00 | 1 |
| H23 | OMe | 3.78 | 4 |
| H25 | OMe | 3.78 | 4 |
| H24 | OMe | 3.78 | 4 |
| H26 | OMe | 3.81 | 4 |
| H27 | OMe | 3.81 | 4 |
| H28 | OMe | 3.81 | 4 |
| H32 | A | 5.78 | 1 |
| H30 | 5 | 6.90 | 1 |
| H29 | 6 | 6.90 | 1 |
| H31 | 2 | 6.97 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.93 | 1 |
| C1 | B | 21.82 | 1 |
| C3 | OMe | 55.43 | 1 |
| C4 | OMe | 55.43 | 1 |
| C8 | A | 71.42 | 1 |
| C7 | 2 | 109.93 | 1 |
| C6 | 5 | 111.57 | 1 |
| C5 | 6 | 118.12 | 1 |
| C10 | 1 | 134.02 | 1 |
| C11 | 4 | 148.32 | 1 |
| C12 | 3 | 148.58 | 1 |
| C9 | AcC=O | 169.51 | 1 |