Acetylated Sinapaldehyde (C13 H14 O5)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 250.24726
This is of the category: Monomers
Concentration: 80 mg/ml (Source: Irwin A. Pearl)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.39 | 1 |
| C2 | OMe | 56.25 | 1 |
| C3 | OMe | 56.25 | 1 |
| C7 | 2 | 105.13 | 1 |
| C8 | 6 | 105.13 | 1 |
| C4 | B | 128.79 | 1 |
| C10 | 1 | 131.23 | 1 |
| C13 | 4 | 132.30 | 1 |
| C5 | A | 152.20 | 1 |
| C11 | 3 | 152.63 | 1 |
| C12 | 5 | 152.63 | 1 |
| C9 | AcC=O | 168.30 | 1 |
| C6 | G | 193.25 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.23 | 1 |
| C2 | OMe | 56.68 | 1 |
| C3 | OMe | 56.68 | 1 |
| C7 | 2 | 106.26 | 1 |
| C8 | 6 | 106.26 | 1 |
| C4 | B | 129.80 | 1 |
| C10 | 1 | 132.01 | 1 |
| C13 | 4 | 133.55 | 1 |
| C5 | A | 153.08 | 1 |
| C11 | 3 | 153.64 | 1 |
| C12 | 5 | 153.64 | 1 |
| C9 | AcC=O | 168.37 | 1 |
| C6 | G | 193.94 | 1 |
| H20 | AcMe | 2.26 | 1 |
| H19 | AcMe | 2.26 | 1 |
| H21 | AcMe | 2.26 | 1 |
| H24 | OMe | 3.87 | 1 |
| H23 | OMe | 3.87 | 1 |
| H22 | OMe | 3.87 | 1 |
| H25 | OMe | 3.87 | 1 |
| H27 | OMe | 3.87 | 1 |
| H26 | OMe | 3.87 | 1 |
| H28 | B | 6.81 | 1 |
| H31 | 2 | 7.12 | 1 |
| H32 | 6 | 7.12 | 1 |
| H29 | A | 7.61 | 1 |
| H30 | G | 9.68 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.05 | 1 |
| C2 | OMe | 56.20 | 1 |
| C3 | OMe | 56.20 | 1 |
| C7 | 2 | 105.63 | 1 |
| C8 | 6 | 105.63 | 1 |
| C4 | B | 128.93 | 1 |
| C10 | 1 | 130.20 | 1 |
| C13 | 4 | 132.39 | 1 |
| C5 | A | 152.77 | 1 |
| C11 | 3 | 152.05 | 1 |
| C12 | 5 | 152.05 | 1 |
| C9 | AcC=O | 167.76 | 1 |
| C6 | G | 194.18 | 1 |