1-(3,5-dimethoxy-4-acetoxyphenyl)-2-propene (C13 H16 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 236.26374
This is of the category: Monomers
Concentration: Saturated (Source: John Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.43 | 1 |
| C6 | A | 40.64 | 1 |
| C3 | OMe | 56.07 | 1 |
| C4 | OMe | 56.07 | 1 |
| C7 | 2 | 105.16 | 1 |
| C8 | 6 | 105.16 | 1 |
| C1 | G | 116.22 | 1 |
| C13 | 4 | 126.99 | 1 |
| C5 | B | 136.90 | 1 |
| C10 | 1 | 138.52 | 1 |
| C11 | 3 | 151.97 | 1 |
| C12 | 5 | 151.97 | 1 |
| C9 | AcC=O | 168.81 | 1 |
| H21 | AcMe | 2.31 | 1 |
| H20 | AcMe | 2.31 | 1 |
| H22 | AcMe | 2.31 | 1 |
| H30 | A | 3.34 | 1 |
| H31 | A | 3.34 | 1 |
| H25 | OMe | 3.79 | 1 |
| H24 | OMe | 3.79 | 1 |
| H23 | OMe | 3.79 | 1 |
| H27 | OMe | 3.79 | 1 |
| H26 | OMe | 3.79 | 1 |
| H28 | OMe | 3.79 | 1 |
| H32 | 2 | 6.43 | 1 |
| H33 | 6 | 6.43 | 1 |
| H18 | G | 5.09 | 1 |
| H19 | G | 5.09 | 1 |
| H29 | B | 5.95 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.24 | 1 |
| C6 | A | 41.06 | 1 |
| C3 | OMe | 56.32 | 1 |
| C4 | OMe | 56.32 | 1 |
| C7 | 2 | 105.93 | 1 |
| C8 | 6 | 105.93 | 1 |
| C1 | G | 116.11 | 1 |
| C13 | 4 | 128.10 | 1 |
| C5 | B | 138.24 | 1 |
| C10 | 1 | 139.32 | 1 |
| C11 | 3 | 153.06 | 1 |
| C12 | 5 | 153.06 | 1 |
| C9 | AcC=O | 168.56 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.09 | 1 |
| C6 | A | 39.89 | 1 |
| C3 | OMe | 55.80 | 1 |
| C4 | OMe | 55.80 | 1 |
| C7 | 2 | 105.01 | 1 |
| C8 | 6 | 105.01 | 1 |
| C1 | G | 115.97 | 1 |
| C13 | 4 | 126.33 | 1 |
| C5 | B | 137.27 | 1 |
| C10 | 1 | 138.31 | 1 |
| C11 | 3 | 151.58 | 1 |
| C12 | 5 | 151.58 | 1 |
| C9 | AcC=O | 168.06 | 1 |