Coniferyl Benzoate (C17 H16 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 284.30654
This is of the category: Misc. Compounds
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.86 | 1 |
| C11 | G | 65.74 | 1 |
| C12 | A2 | 108.39 | 1 |
| C10 | A5 | 114.44 | 1 |
| C9 | A6 | 120.64 | 1 |
| C5 | B | 120.81 | 1 |
| C3 | B3 | 128.32 | 1 |
| C4 | B5 | 128.32 | 1 |
| C13 | A1 | 128.76 | 1 |
| C7 | B2 | 129.61 | 1 |
| C8 | B6 | 129.61 | 1 |
| C14 | B1 | 130.24 | 1 |
| C2 | B4 | 132.93 | 1 |
| C6 | A | 134.50 | 1 |
| C16 | A3 | 146.63 | 1 |
| C15 | A4 | 145.91 | 1 |
| C17 | BAC=O | 166.46 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.21 | 1 |
| C11 | G | 66.35 | 1 |
| C12 | A2 | 110.25 | 1 |
| C10 | A5 | 115.84 | 1 |
| C9 | A6 | 121.29 | 1 |
| C5 | B | 121.32 | 1 |
| C3 | B3 | 129.37 | 1 |
| C4 | B5 | 129.37 | 1 |
| C13 | A1 | 129.31 | 1 |
| C7 | B2 | 130.17 | 1 |
| C8 | B6 | 130.17 | 1 |
| C14 | B1 | 131.30 | 1 |
| C2 | B4 | 133.86 | 1 |
| C6 | A | 135.34 | 1 |
| C16 | A3 | 148.54 | 1 |
| C15 | A4 | 147.89 | 1 |
| C17 | BAC=O | 166.58 | 1 |
| H23 | OMe | 3.86 | 2 |
| H22 | OMe | 3.86 | 2 |
| H24 | OMe | 3.86 | 2 |
| H34 | G | 4.94 | 1 |
| H35 | G | 4.94 | 1 |
| H28 | B | 6.34 | 1 |
| H29 | A | 6.72 | 1 |
| H33 | A5 | 6.80 | 1 |
| H32 | A6 | 6.93 | 1 |
| H36 | A2 | 7.14 | 1 |
| H26 | B3 | 7.50 | 1 |
| H27 | B5 | 7.50 | 1 |
| H25 | B4 | 7.62 | 1 |
| H30 | B2 | 8.045 | 1 |
| H31 | B6 | 8.045 | 1 |
| H37 | ArOH | 7.76 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.61 | 1 |
| C11 | G | 65.55 | 1 |
| C12 | A2 | 109.96 | 1 |
| C10 | A5 | 115.45 | 1 |
| C9 | A6 | 120.23 | 1 |
| C5 | B | 120.23 | 1 |
| C3 | B3 | 128.82 | 1 |
| C4 | B5 | 128.82 | 1 |
| C13 | A1 | 127.52 | 1 |
| C7 | B2 | 129.20 | 1 |
| C8 | B6 | 129.20 | 1 |
| C14 | B1 | 129.78 | 1 |
| C2 | B4 | 133.39 | 1 |
| C6 | A | 134.29 | 1 |
| C16 | A3 | 147.79 | 1 |
| C15 | A4 | 146.93 | 1 |
| C17 | BAC=O | 165.62 | 1 |