Acetosyringone Acetate (C12 H14 O5)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 238.23656
This is of the category: Monomers
Concentration: 100 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 | B | 26.50 | 1 |
| C3 | OMe | 52.28 | 1 |
| C4 | OMe | 56.28 | 1 |
| C5 | 2 | 105.10 | 1 |
| C6 | 6 | 105.10 | 1 |
| C12 | 4 | 132.81 | 1 |
| C9 | 1 | 135.11 | 1 |
| C10 | 3 | 152.20 | 1 |
| C11 | 5 | 152.20 | 1 |
| C8 | AcC=O | 168.14 | 1 |
| C7 | A | 196.75 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.23 | 1 |
| C2 | B | 26.68 | 1 |
| C3 | OMe | 56.66 | 1 |
| C4 | OMe | 56.66 | 1 |
| C5 | 2 | 105.89 | 1 |
| C6 | 6 | 105.89 | 1 |
| C12 | 4 | 133.70 | 1 |
| C9 | 1 | 136.19 | 1 |
| C10 | 3 | 153.28 | 1 |
| C11 | 5 | 153.28 | 1 |
| C8 | AcC=O | 168.21 | 1 |
| C7 | A | 196.92 | 1 |
| H22 | AcMe | 2.25 | 1 |
| H23 | AcMe | 2.25 | 1 |
| H21 | AcMe | 2.25 | 1 |
| H20 | B | 2.58 | 1 |
| H19 | B | 2.58 | 1 |
| H18 | B | 2.58 | 1 |
| H24 | OMe | 3.87 | 1 |
| H26 | OMe | 3.87 | 1 |
| H25 | OMe | 3.87 | 1 |
| H27 | OMe | 3.87 | 1 |
| H29 | OMe | 3.87 | 1 |
| H28 | OMe | 3.87 | 1 |
| H30 | 2 | 7.31 | 1 |
| H31 | 6 | 7.31 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.86 | 1 |
| C2 | B | 27.47 | 1 |
| C3 | OMe | 56.94 | 1 |
| C4 | OMe | 56.94 | 1 |
| C5 | 2 | 105.79 | 1 |
| C6 | 6 | 105.79 | 1 |
| C12 | 4 | 132.75 | 1 |
| C9 | 1 | 135.69 | 1 |
| C10 | 3 | 152.56 | 1 |
| C11 | 5 | 156.56 | 1 |
| C8 | AcC=O | 168.43 | 1 |
| C7 | A | 197.64 | 1 |