Acetylated Coumaric Acid (C11 H10 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 206.1947
This is of the category: Monomers
Concentration: 120 mg/ml (Source: Irwin A. Pearl)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 21.12 | 1 |
| C7 | B | 117.38 | 1 |
| C5 | 3 | 122.22 | 1 |
| C6 | 5 | 122.22 | 1 |
| C2 | 2 | 129.48 | 1 |
| C3 | 6 | 129.48 | 1 |
| C9 | 1 | 131.82 | 1 |
| C4 | A | 145.80 | 1 |
| C10 | 4 | 152.50 | 1 |
| C8 | AcC=O | 168.98 | 1 |
| C11 | G | 171.14 | 1 |
| H16 | AcMe | 2.31 | 1 |
| H17 | AcMe | 2.31 | 1 |
| H18 | AcMe | 2.31 | 1 |
| H24 | B | 6.41 | 1 |
| H22 | 3 | 7.15 | 1 |
| H23 | 5 | 7.15 | 1 |
| H19 | 2 | 7.57 | 1 |
| H20 | 6 | 7.57 | 1 |
| H21 | A | 7.75 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.96 | 1 |
| C7 | B | 119.32 | 1 |
| C5 | 3 | 123.19 | 1 |
| C6 | 5 | 123.19 | 1 |
| C2 | 2 | 130.07 | 1 |
| C3 | 6 | 130.07 | 1 |
| C9 | 1 | 133.04 | 1 |
| C4 | A | 144.44 | 1 |
| C10 | 4 | 153.41 | 1 |
| C8 | AcC=O | 167.68 | 1 |
| C11 | G | 169.39 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.76 | 1 |
| C7 | B | 119.29 | 1 |
| C5 | 3 | 122.28 | 1 |
| C6 | 5 | 122.28 | 1 |
| C2 | 2 | 129.32 | 1 |
| C3 | 6 | 129.32 | 1 |
| C9 | 1 | 131.89 | 1 |
| C4 | A | 142.88 | 1 |
| C10 | 4 | 151.80 | 1 |
| C8 | AcC=O | 167.48 | 1 |
| C11 | G | 168.92 | 1 |