P-Methoxy Coumaryl Alcohol Acetate (C12 H14 O3)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 206.23776
This is of the category: Monomers
Concentration: 60 mg/ml (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 21.07 | 1 |
| C2 | OMe | 55.35 | 1 |
| C9 | G | 65.39 | 1 |
| C7 | 3 | 114.13 | 1 |
| C8 | 5 | 114.13 | 1 |
| C3 | B | 121.00 | 1 |
| C5 | 2 | 127.94 | 1 |
| C6 | 6 | 127.94 | 1 |
| C11 | 1 | 130.17 | 1 |
| C4 | A | 134.10 | 1 |
| C12 | 4 | 159.73 | 1 |
| C10 | AcC=O | 170.90 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.82 | 1 |
| C2 | OMe | 55.59 | 1 |
| C9 | G | 65.52 | 1 |
| C7 | 3 | 114.91 | 1 |
| C8 | 5 | 114.91 | 1 |
| C3 | B | 122.21 | 1 |
| C5 | 2 | 128.69 | 1 |
| C6 | 6 | 128.69 | 1 |
| C11 | 1 | 130.80 | 1 |
| C4 | A | 134.32 | 1 |
| C12 | 4 | 160.71 | 1 |
| C10 | AcC=O | 170.77 | 1 |
| H16 | AcMe | 2.01 | 1 |
| H17 | AcMe | 2.01 | 1 |
| H18 | AcMe | 2.01 | 1 |
| H21 | OMe | 3.78 | 1 |
| H20 | OMe | 3.78 | 1 |
| H19 | OMe | 3.78 | 1 |
| H28 | G | 4.65 | 1 |
| H29 | G | 4.65 | 1 |
| H22 | B | 6.19 | 1 |
| H26 | 3 | 6.89 | 1 |
| H27 | 5 | 6.89 | 1 |
| H24 | 2 | 7.38 | 1 |
| H25 | 6 | 7.38 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.64 | 1 |
| C2 | OMe | 55.05 | 1 |
| C9 | G | 64.48 | 1 |
| C7 | 3 | 114.02 | 1 |
| C8 | 5 | 114.02 | 1 |
| C3 | B | 121.17 | 1 |
| C5 | 2 | 127.74 | 1 |
| C6 | 6 | 127.74 | 1 |
| C11 | 1 | 129.86 | 1 |
| C4 | A | 133.00 | 1 |
| C12 | 4 | 159.13 | 1 |
| C10 | AcC=O | 170.07 | 1 |