Syringic Acid Acetate (C11 H12 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 240.20938
This is of the category: Monomers
Concentration: 50 mg/ml (Source: Jamie Milhaupt)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.43 | 1 |
| C2 | OMe | 56.34 | 1 |
| C3 | OMe | 56.34 | 1 |
| C4 | 2 | 106.90 | 1 |
| C5 | 6 | 106.90 | 1 |
| C7 | 1 | 127.15 | 1 |
| C10 | 4 | 133.37 | 1 |
| C8 | 3 | 152.19 | 1 |
| C9 | 5 | 152.19 | 1 |
| C11 | A | 168.17 | 1 |
| C6 | AcC=O | 171.25 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.23 | 1 |
| C2 | OMe | 56.65 | 1 |
| C3 | OMe | 56.65 | 1 |
| C4 | 2 | 107.12 | 1 |
| C5 | 6 | 107.12 | 1 |
| C7 | 1 | 129.34 | 1 |
| C10 | 4 | 133.63 | 1 |
| C8 | 3 | 153.21 | 1 |
| C9 | 5 | 153.21 | 1 |
| C11 | A | 166.97 | 1 |
| C6 | AcC=O | 168.18 | 1 |
| H19 | AcMe | 2.27 | 1 |
| H18 | AcMe | 2.27 | 1 |
| H20 | AcMe | 2.27 | 1 |
| H23 | OMe | 3.88 | 1 |
| H22 | OMe | 3.88 | 1 |
| H21 | OMe | 3.88 | 1 |
| H25 | OMe | 3.88 | 1 |
| H24 | OMe | 3.88 | 1 |
| H26 | OMe | 3.88 | 1 |
| H27 | 2 | 7.37 | 1 |
| H28 | 6 | 7.37 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 19.93 | 1 |
| C2 | OMe | 55.92 | 1 |
| C3 | OMe | 55.92 | 1 |
| C4 | 2 | 105.72 | 1 |
| C5 | 6 | 105.72 | 1 |
| C7 | 1 | 128.72 | 1 |
| C10 | 4 | 131.44 | 1 |
| C8 | 3 | 151.48 | 1 |
| C9 | 5 | 151.48 | 1 |
| C11 | A | 166.44 | 1 |
| C6 | AcC=O | 167.52 | 1 |