Hydroxyphenylethanol Diacetate (C12 H14 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 222.23716
This is of the category: Monomers
Concentration: 44 mg/ml (Source: John Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 21.10 | 4 |
| C3 | AcMe | 21.30 | 4 |
| C1 | B | 22.14 | 1 |
| C8 | A | 71.68 | 1 |
| C6 | 3 | 121.57 | 1 |
| C7 | 5 | 121.57 | 1 |
| C4 | 2 | 127.31 | 1 |
| C5 | 6 | 127.31 | 1 |
| C11 | 1 | 139.18 | 1 |
| C12 | 4 | 150.16 | 1 |
| C10 | A4AcC=O | 169.41 | 1 |
| C9 | AAcC=O | 170.21 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.91 | 4 |
| C3 | AcMe | 21.08 | 4 |
| C1 | B | 22.48 | 1 |
| C8 | A | 72.03 | 1 |
| C6 | 3 | 122.53 | 1 |
| C7 | 5 | 122.53 | 1 |
| C4 | 2 | 127.84 | 1 |
| C5 | 6 | 127.84 | 1 |
| C11 | 1 | 140.39 | 1 |
| C12 | 4 | 151.29 | 1 |
| C10 | A4AcC=O | 169.58 | 1 |
| C9 | AAcC=O | 170.16 | 1 |
| H21 | AcMe | 2.01 | 4 |
| H20 | AcMe | 2.01 | 4 |
| H22 | AcMe | 2.01 | 4 |
| H23 | AcMe | 2.24 | 4 |
| H24 | AcMe | 2.24 | 4 |
| H25 | AcMe | 2.24 | 4 |
| H17 | B | 1.48 | 1 |
| H18 | B | 1.48 | 1 |
| H19 | B | 1.48 | 1 |
| H30 | A | 5.84 | 1 |
| H28 | 3 | 7.09 | 1 |
| H29 | 5 | 7.09 | 1 |
| H26 | 2 | 7.40 | 1 |
| H27 | 6 | 7.40 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.74 | 4 |
| C3 | AcMe | 20.89 | 4 |
| C1 | B | 21.95 | 1 |
| C8 | A | 71.01 | 1 |
| C6 | 3 | 121.70 | 1 |
| C7 | 5 | 121.70 | 1 |
| C4 | 2 | 126.99 | 1 |
| C5 | 6 | 126.99 | 1 |
| C11 | 1 | 139.13 | 1 |
| C12 | 4 | 149.79 | 1 |
| C10 | A4AcC=O | 169.11 | 1 |
| C9 | AAcC=O | 169.54 | 1 |