Sinapic Acid Acetate (C13 H14 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 266.24666
This is of the category: Monomers
Concentration: 40 mg/ml (Source: John Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.41 | 1 |
| C2 | OMe | 56.27 | 1 |
| C3 | OMe | 56.27 | 1 |
| C6 | 2 | 105.19 | 1 |
| C7 | 6 | 105.19 | 1 |
| C5 | b | 116.92 | 1 |
| C13 | 4 | 131.30 | 1 |
| C9 | 1 | 131.93 | 1 |
| C4 | A | 148.34 | 1 |
| C10 | 3 | 152.60 | 1 |
| C11 | 5 | 152.60 | 1 |
| C12 | G | 162.19 | 1 |
| C8 | AcC=O | 168.33 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.23 | 1 |
| C2 | OMe | 56.66 | 1 |
| C3 | OMe | 56.66 | 1 |
| C6 | 2 | 106.42 | 1 |
| C7 | 6 | 106.42 | 1 |
| C5 | b | 117.90 | 1 |
| C13 | 4 | 132.15 | 1 |
| C9 | 1 | 132.95 | 1 |
| C4 | A | 149.06 | 1 |
| C10 | 3 | 153.60 | 1 |
| C11 | 5 | 153.60 | 1 |
| C12 | G | 163.11 | 1 |
| C8 | AcC=O | 168.35 | 1 |
| H21 | ACOMe | 2.29 | 1 |
| H20 | ACOMe | 2.29 | 1 |
| H22 | ACOMe | 2.29 | 1 |
| H25 | OMe | 3.86 | 1 |
| H24 | OMe | 3.86 | 1 |
| H23 | OMe | 3.86 | 1 |
| H26 | OMe | 3.86 | 1 |
| H28 | OMe | 3.86 | 1 |
| H27 | OMe | 3.86 | 1 |
| H31 | 2 | 7.13 | 1 |
| H32 | 6 | 7.13 | 1 |
| H30 | B | 6.66 | 1 |
| H29 | A | 7.79 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.03 | 1 |
| C2 | OMe | 56.20 | 1 |
| C3 | OMe | 56.20 | 1 |
| C6 | 2 | 105.93 | 1 |
| C7 | 6 | 105.93 | 1 |
| C5 | b | 117.16 | 1 |
| C13 | 4 | 130.30 | 1 |
| C9 | 1 | 131.78 | 1 |
| C4 | A | 148.37 | 1 |
| C10 | 3 | 151.97 | 1 |
| C11 | 5 | 151.97 | 1 |
| C12 | G | 162.61 | 1 |
| C8 | AcC=O | 167.74 | 1 |