Acetylated Dihydrocoumaric Acid (C11 H12 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 208.21058
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 | 21.06 | 1 |
| C4 | A | 29.96 | 1 |
| C7 | B | 35.48 | 1 |
| C5 | 3 | 121.56 | 1 |
| C6 | 5 | 121.56 | 1 |
| C2 | 2 | 129.24 | 1 |
| C3 | 6 | 129.24 | 1 |
| C9 | 1 | 137.78 | 1 |
| C10 | 4 | 149.17 | 1 |
| C8 | AcC=O | 169.78 | 1 |
| C11 | G | 178.63 | 1 |
| H16 | AcMe | 2.27 | 1 |
| H17 | AcMe | 2.27 | 1 |
| H18 | AcMe | 2.27 | 1 |
| H25 | B | 2.67 | 1 |
| H26 | B | 2.67 | 1 |
| H21 | A | 2.92 | 1 |
| H21 | A | 2.92 | 1 |
| H19 | 2 | 6.99 | 1 |
| H20 | 6 | 6.99 | 1 |
| H23 | 3 | 7.19 | 1 |
| H24 | 5 | 7.19 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.91 | 1 |
| C4 | A | 30.80 | 1 |
| C7 | B | 35.80 | 1 |
| C5 | 3 | 122.37 | 1 |
| C6 | 5 | 122.37 | 1 |
| C2 | 2 | 129.94 | 1 |
| C3 | 6 | 129.94 | 1 |
| C9 | 1 | 139.24 | 1 |
| C10 | 4 | 150.24 | 1 |
| C8 | AcC=O | 169.65 | 1 |
| C11 | G | 174.18 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.73 | 1 |
| C4 | A | 29.68 | 1 |
| C7 | B | 35.14 | 1 |
| C5 | 3 | 121.47 | 1 |
| C6 | 5 | 121.47 | 1 |
| C2 | 2 | 129.09 | 1 |
| C3 | 6 | 129.09 | 1 |
| C9 | 1 | 138.29 | 1 |
| C10 | 4 | 148.70 | 1 |
| C8 | AcC=O | 169.14 | 1 |
| C11 | G | 173.60 | 1 |