Veratryl Glycerol (C11 H16 O5)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 228.24174
This is of the category: Monomers
Concentration: 4 mg/ml (Source: Mike Mozuch)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.98 | 1 |
| C2 | OMe | 55.98 | 1 |
| C6 | G | 63.41 | 1 |
| C8 | B | 74.87 | 1 |
| C11 | A | 75.81 | 1 |
| C5 | 2 | 109.71 | 1 |
| C4 | 5 | 111.25 | 1 |
| C3 | 6 | 119.04 | 1 |
| C7 | 1 | 133.04 | 1 |
| C10 | 3 | 149.08 | 1 |
| C9 | 4 | 149.28 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.10 | 1 |
| C2 | OMe | 56.20 | 1 |
| C6 | G | 63.98 | 1 |
| C8 | B | 74.70 | 1 |
| C11 | A | 77.21 | 1 |
| C5 | 2 | 111.82 | 1 |
| C4 | 5 | 112.54 | 1 |
| C3 | 6 | 119.91 | 1 |
| C7 | 1 | 136.24 | 1 |
| C10 | 3 | 149.70 | 1 |
| C9 | 4 | 150.16 | 1 |
| H17 | OMe | 3.77 | 4 |
| H18 | OMe | 3.77 | 4 |
| H19 | OMe | 3.77 | 4 |
| H20 | OMe | 3.78 | 4 |
| H21 | OMe | 3.78 | 4 |
| H22 | OMe | 3.78 | 4 |
| H26 | G1 | 3.36 | 1 |
| H27 | G2 | 3.48 | 1 |
| H28 | B | 3.62 | 1 |
| H29 | A | 4.58 | 1 |
| H4 | 5 | 6.86 | 1 |
| H3 | 6 | 6.86 | 1 |
| H5 | 2 | 7.00 | 1 |