4-Acetoxy Benzaldehyde (C9 H8 O3)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 164.15802
This is of the category: Monomers
Concentration: 84 mg/ml (Source: Jamie Milhaupt)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 21.06 | 1 |
| C2 | 3 | 122.32 | 1 |
| C3 | 5 | 122.32 | 1 |
| C4 | 2 | 131.12 | 1 |
| C5 | 6 | 131.12 | 1 |
| C9 | 1 | 133.93 | 1 |
| C8 | 4 | 155.30 | 1 |
| C7 | AcC=O | 168.62 | 1 |
| C6 | A | 190.88 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.98 | 1 |
| C2 | 3 | 123.43 | 1 |
| C3 | 5 | 123.43 | 1 |
| C4 | 2 | 131.68 | 1 |
| C5 | 6 | 131.68 | 1 |
| C9 | 1 | 135.13 | 1 |
| C8 | 4 | 156.42 | 1 |
| C7 | AcC=O | 169.27 | 1 |
| C6 | A | 191.83 | 1 |
| H13 | AcMe | 2.30 | 1 |
| H14 | AcMe | 2.30 | 1 |
| H15 | AcMe | 2.30 | 1 |
| H16 | 3 | 7.35 | 1 |
| H17 | 5 | 7.35 | 1 |
| H18 | 2 | 7.97 | 1 |
| H19 | 6 | 7.97 | 1 |
| H20 | A | 10.01 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.78 | 1 |
| C2 | 3 | 122.63 | 1 |
| C3 | 5 | 122.63 | 1 |
| C4 | 2 | 130.85 | 1 |
| C5 | 6 | 130.95 | 1 |
| C9 | 1 | 133.75 | 1 |
| C8 | 4 | 154.99 | 1 |
| C7 | AcC=O | 168.64 | 1 |
| C6 | A | 191.84 | 1 |