Coumaryl Alcohol Acetate (C13 H14 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 234.24786
This is of the category: Monomers
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | GAcMe | 20.98 | 1 |
| C2 | 4AcMe | 21.12 | 1 |
| C9 | G | 64.95 | 1 |
| C7 | 3 | 121.79 | 1 |
| C8 | 5 | 121.79 | 1 |
| C3 | B | 123.58 | 1 |
| C5 | 2 | 127.62 | 1 |
| C6 | 6 | 127.62 | 1 |
| C4 | A | 133.19 | 1 |
| C12 | 1 | 134.08 | 1 |
| C13 | 4 | 150.52 | 1 |
| C11 | 4AcC=O | 169.32 | 1 |
| C10 | GAcC=O | 170.78 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | GAcMe | 20.78 | 1 |
| C2 | 4AcMe | 20.96 | 1 |
| C9 | G | 65.17 | 1 |
| C7 | 3 | 122.85 | 1 |
| C8 | 5 | 122.85 | 1 |
| C3 | B | 124.89 | 1 |
| C5 | 2 | 128.29 | 1 |
| C6 | 6 | 128.29 | 1 |
| C4 | A | 133.28 | 1 |
| C12 | 1 | 134.99 | 1 |
| C13 | 4 | 151.70 | 1 |
| C11 | 4AcC=O | 169.55 | 1 |
| C10 | GAcC=O | 170.74 | 1 |
| H18 | GAcMe | 2.03 | 1 |
| H19 | GAcMe | 2.03 | 1 |
| H20 | GAcMe | 2.03 | 1 |
| H21 | 4AcMe | 2.24 | 1 |
| H22 | 4AcMe | 2.24 | 1 |
| H23 | 4AcMe | 2.24 | 1 |
| H30 | G | 4.69 | 1 |
| H31 | G | 4.69 | 1 |
| H24 | B | 6.32 | 1 |
| H25 | A | 6.69 | 1 |
| H28 | 3 | 7.08 | 1 |
| H29 | 5 | 7.08 | 1 |
| H26 | 2 | 7.47 | 1 |
| H27 | 6 | 7.47 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | GAcMe | 20.63 | 1 |
| C2 | 4AcMe | 20.86 | 1 |
| C9 | G | 64.18 | 1 |
| C7 | 3 | 121.97 | 1 |
| C8 | 5 | 121.97 | 1 |
| C3 | B | 123.97 | 1 |
| C5 | 2 | 127.43 | 1 |
| C6 | 6 | 127.43 | 1 |
| C4 | A | 132.05 | 1 |
| C12 | 1 | 133.64 | 1 |
| C13 | 4 | 150.13 | 1 |
| C11 | 4AcC=O | 169.03 | 1 |
| C10 | GAcC=O | 170.07 | 1 |