Acetosyringone (C10 H12 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 196.19988
This is of the category: Monomers
Concentration: 92 mg/ml (Source: John Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B | 26.21 | 1 |
| C2 | OMe | 56.45 | 1 |
| C3 | OMe | 56.45 | 1 |
| C4 | 2 | 105.81 | 1 |
| C5 | 6 | 105.81 | 1 |
| C7 | 1 | 128.21 | 1 |
| C10 | 4 | 139.89 | 1 |
| C8 | 3 | 146.79 | 1 |
| C9 | 5 | 146.79 | 1 |
| C6 | A | 196.64 | 1 |
| H17 | B | 2.57 | 1 |
| H16 | B | 2.57 | 1 |
| H15 | B | 2.57 | 1 |
| H20 | OMe | 3.94 | 1 |
| H19 | OMe | 3.94 | 1 |
| H18 | OMe | 3.94 | 1 |
| H21 | OMe | 3.94 | 1 |
| H23 | OMe | 3.94 | 1 |
| H22 | OMe | 3.94 | 1 |
| H24 | 2 | 7.24 | 1 |
| H25 | 6 | 7.24 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B | 26.30 | 1 |
| C2 | OMe | 56.63 | 1 |
| C3 | OMe | 56.63 | 1 |
| C4 | 2 | 106.97 | 1 |
| C5 | 6 | 106.97 | 1 |
| C7 | 1 | 129.13 | 1 |
| C10 | 4 | 141.75 | 1 |
| C8 | 3 | 148.29 | 1 |
| C9 | 5 | 148.29 | 1 |
| C6 | A | 196.31 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B | 26.22 | 1 |
| C2 | OMe | 56.02 | 1 |
| C3 | OMe | 56.02 | 1 |
| C4 | 2 | 106.13 | 1 |
| C5 | 6 | 106.13 | 1 |
| C7 | 1 | 127.33 | 1 |
| C10 | 4 | 140.86 | 1 |
| C8 | 3 | 147.44 | 1 |
| C9 | 5 | 147.44 | 1 |
| C6 | A | 196.06 | 1 |