Apocynol (C9 H12 O3)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 168.18978
This is of the category: Monomers
Concentration: Saturated (Source: John Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B | 25.07 | 1 |
| C2 | OMe | 55.88 | 1 |
| C6 | A | 70.30 | 1 |
| C5 | 2 | 108.05 | 1 |
| C4 | 5 | 114.20 | 1 |
| C3 | 6 | 118.31 | 1 |
| C7 | 1 | 137.91 | 1 |
| C8 | 4 | 144.96 | 1 |
| C9 | 3 | 146.62 | 1 |
| H13 | BMe | 1.46 | 1 |
| H15 | BMe | 1.46 | 1 |
| H14 | BMe | 1.46 | 1 |
| H16 | OMe | 3.87 | 1 |
| H17 | OMe | 3.87 | 1 |
| H18 | OMe | 3.87 | 1 |
| H22 | A | 4.81 | 1 |
| H20 | 5 | 6.81 | 1 |
| H21 | 2 | 6.91 | 1 |
| H19 | 6 | 6.84 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B | 26.22 | 1 |
| C2 | OMe | 56.09 | 1 |
| C6 | A | 69.81 | 1 |
| C5 | 2 | 109.76 | 1 |
| C4 | 5 | 115.21 | 1 |
| C3 | 6 | 118.65 | 1 |
| C7 | 1 | 139.67 | 1 |
| C8 | 4 | 146.13 | 1 |
| C9 | 3 | 147.97 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B | 25.88 | 1 |
| C2 | OMe | 55.42 | 1 |
| C6 | A | 67.89 | 1 |
| C5 | 2 | 109.54 | 1 |
| C4 | 5 | 114.80 | 1 |
| C3 | 6 | 117.47 | 1 |
| C7 | 1 | 138.35 | 1 |
| C8 | 4 | 144.98 | 1 |
| C9 | 3 | 147.11 | 1 |