4-Acetoxy Benzoic Acid (C9 H8 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 180.15742
This is of the category: Monomers
Concentration: 54 mg/ml (Source: Jamie Milhaupt)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 21.25 | 1 |
| C4 | 3 | 121.84 | 1 |
| C5 | 5 | 121.84 | 1 |
| C7 | 1 | 126.96 | 1 |
| C2 | 2 | 131.95 | 1 |
| C3 | 6 | 131.95 | 1 |
| C8 | 4 | 155.09 | 1 |
| C9 | A | 168.89 | 1 |
| C6 | AcC=O | 171.38 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.98 | 1 |
| C4 | 3 | 122.76 | 1 |
| C5 | 5 | 122.76 | 1 |
| C7 | 1 | 128.81 | 1 |
| C2 | 2 | 131.91 | 1 |
| C3 | 6 | 131.91 | 1 |
| C8 | 4 | 155.55 | 1 |
| C9 | A | 167.00 | 1 |
| C6 | AcC=O | 169.28 | 1 |
| H15 | AcMe | 2.29 | 1 |
| H16 | AcMe | 2.29 | 1 |
| H17 | AcMe | 2.29 | 1 |
| H19 | 3 | 7.26 | 1 |
| H20 | 5 | 7.26 | 1 |
| H17 | 2 | 8.08 | 1 |
| H18 | 6 | 8.08 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.80 | 1 |
| C4 | 3 | 121.96 | 1 |
| C5 | 5 | 121.96 | 1 |
| C7 | 1 | 128.31 | 1 |
| C2 | 2 | 130.78 | 1 |
| C3 | 6 | 130.78 | 1 |
| C8 | 4 | 153.86 | 1 |
| C9 | A | 166.55 | 1 |
| C6 | AcC=O | 168.75 | 1 |