Syringaldehyde Acetate (C11 H12 O5)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 224.20998
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 | 20.41 | 1 |
| C2 | OMe | 56.35 | 1 |
| C3 | OMe | 56.35 | 1 |
| C4 | 2 | 106.09 | 1 |
| C5 | 6 | 106.09 | 1 |
| C11 | 4 | 133.82 | 1 |
| C8 | 1 | 134.36 | 1 |
| C9 | 3 | 152.88 | 1 |
| C10 | 5 | 152.88 | 1 |
| C7 | AcC=O | 168.01 | 1 |
| C6 | A | 191.00 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.21 | 1 |
| C2 | OMe | 56.72 | 1 |
| C3 | OMe | 56.72 | 1 |
| C4 | 2 | 106.72 | 1 |
| C5 | 6 | 106.72 | 1 |
| C11 | 4 | 134.60 | 1 |
| C8 | 1 | 135.62 | 1 |
| C9 | 3 | 153.91 | 1 |
| C10 | 5 | 153.91 | 1 |
| C7 | AcC=O | 168.15 | 1 |
| C6 | A | 191.82 | 1 |
| H18 | AcMe | 2.28 | 1 |
| H17 | AcMe | 2.28 | 1 |
| H19 | AcMe | 2.28 | 1 |
| H22 | OMe | 3.90 | 1 |
| H21 | OMe | 3.90 | 1 |
| H20 | OMe | 3.90 | 1 |
| H24 | OMe | 3.90 | 1 |
| H23 | OMe | 3.90 | 1 |
| H25 | OMe | 3.90 | 1 |
| H26 | 2 | 7.28 | 1 |
| H27 | 6 | 7.28 | 1 |
| H28 | A | 9.93 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.01 | 1 |
| C2 | OMe | 56.20 | 1 |
| C3 | OMe | 56.20 | 1 |
| C4 | 2 | 106.00 | 1 |
| C5 | 6 | 106.00 | 1 |
| C11 | 4 | 132.83 | 1 |
| C8 | 1 | 134.20 | 1 |
| C9 | 3 | 152.35 | 1 |
| C10 | 5 | 152.35 | 1 |
| C7 | AcC=O | 167.58 | 1 |
| C6 | A | 191.89 | 1 |