Acetoveratrone (C10 H12 O3)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 180.20048
This is of the category: Monomers
Concentration: 110 mg/ml (Source: John Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B | 26.17 | 1 |
| C2 | OMe | 55.95 | 4 |
| C3 | OMe | 56.04 | 4 |
| C6 | 2 | 109.99 | 1 |
| C5 | 5 | 110.09 | 1 |
| C4 | 6 | 123.27 | 1 |
| C8 | 1 | 130.48 | 1 |
| C10 | 3 | 148.99 | 1 |
| C9 | 4 | 153.30 | 1 |
| C7 | A | 196.70 | 1 |
| H14 | B | 2.56 | 1 |
| H15 | B | 2.56 | 1 |
| H16 | B | 2.56 | 1 |
| H17 | OMe | 3.93 | 4 |
| H19 | OMe | 3.93 | 4 |
| H18 | OMe | 3.93 | 4 |
| H20 | OMe | 3.94 | 4 |
| H21 | OMe | 3.94 | 4 |
| H22 | OMe | 3.94 | 4 |
| H25 | 2 | 7.52 | 1 |
| H24 | 5 | 6.90 | 1 |
| H23 | 6 | 7.57 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B | 26.25 | 1 |
| C2 | OMe | 55.96 | 4 |
| C3 | OMe | 56.10 | 4 |
| C6 | 2 | 111.17 | 1 |
| C5 | 5 | 111.30 | 1 |
| C4 | 6 | 123.73 | 1 |
| C8 | 1 | 131.24 | 1 |
| C10 | 3 | 150.00 | 1 |
| C9 | 4 | 154.38 | 1 |
| C7 | A | 196.34 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B | 26.23 | 1 |
| C2 | OMe | 55.43 | 4 |
| C3 | OMe | 55.68 | 4 |
| C6 | 2 | 110.17 | 1 |
| C5 | 5 | 110.74 | 1 |
| C4 | 6 | 123.04 | 1 |
| C8 | 1 | 129.88 | 1 |
| C10 | 3 | 148.55 | 1 |
| C9 | 4 | 153.06 | 1 |
| C7 | A | 196.22 | 1 |