Acetylated Methyl Ferulate (C13 H14 O5)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 250.24726
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 | AcMe | 20.54 | 1 |
| C3 | GOMe | 51.62 | 1 |
| C2 | OMe | 55.94 | 1 |
| C8 | 2 | 111.52 | 1 |
| C7 | B | 118.13 | 1 |
| C4 | 6 | 120.20 | 1 |
| C6 | 5 | 123.30 | 1 |
| C10 | 1 | 133.41 | 1 |
| C11 | 4 | 141.66 | 1 |
| C5 | A | 144.12 | 1 |
| C12 | 3 | 151.57 | 1 |
| C13 | G | 167.15 | 1 |
| C9 | AcC=O | 168.59 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.46 | 1 |
| C3 | GOMe | 51.69 | 1 |
| C2 | OMe | 56.44 | 1 |
| C8 | 2 | 112.59 | 1 |
| C7 | B | 118.95 | 1 |
| C4 | 6 | 122.04 | 1 |
| C6 | 5 | 124.12 | 1 |
| C10 | 1 | 134.25 | 1 |
| C11 | 4 | 142.73 | 1 |
| C5 | A | 144.68 | 1 |
| C12 | 3 | 152.72 | 1 |
| C13 | G | 167.41 | 1 |
| C9 | AcC=O | 168.76 | 1 |
| H20 | AcMe | 2.25 | 1 |
| H19 | AcMe | 2.25 | 1 |
| H21 | AcMe | 2.25 | 1 |
| H26 | GOMe | 3.74 | 1 |
| H27 | GOMe | 3.74 | 1 |
| H25 | GOMe | 3.74 | 1 |
| H23 | OMe | 3.86 | 1 |
| H24 | OMe | 3.86 | 1 |
| H22 | OMe | 3.86 | 1 |
| H31 | B | 6.54 | 1 |
| H30 | 5 | 7.09 | 1 |
| H28 | 6 | 7.23 | 1 |
| H32 | 2 | 7.41 | 1 |
| H29 | A | 7.64 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.28 | 1 |
| C3 | GOMe | 51.34 | 1 |
| C2 | OMe | 55.95 | 1 |
| C8 | 2 | 112.01 | 1 |
| C7 | B | 118.05 | 1 |
| C4 | 6 | 121.37 | 1 |
| C6 | 5 | 123.11 | 1 |
| C10 | 1 | 132.92 | 1 |
| C11 | 4 | 140.98 | 1 |
| C5 | A | 143.81 | 1 |
| C12 | 3 | 151.10 | 1 |
| C13 | G | 166.52 | 1 |
| C9 | AcC=O | 168.19 | 1 |