Phenyl Benzoate (C13 H10 O2)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 198.2173
This is of the category: Misc. Compounds
Concentration: 120 mg/ml (Source: Aldrich)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C9 | B3 | 121.70 | 1 |
| C10 | B5 | 121.70 | 1 |
| C2 | B1 | 125.84 | 1 |
| C7 | A2 | 128.54 | 1 |
| C8 | A6 | 128.54 | 1 |
| C5 | B2 | 129.45 | 1 |
| C6 | B6 | 129.45 | 1 |
| C11 | A1 | 129.57 | 1 |
| C3 | A3 | 130.13 | 1 |
| C4 | A5 | 130.13 | 1 |
| C1 | A4 | 133.53 | 1 |
| C12 | B4 | 150.96 | 1 |
| C13 | A | 165.11 | 1 |
| H22 | A2 | 8.21 | 1 |
| H23 | A6 | 8.21 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C9 | B3 | 122.61 | 1 |
| C10 | B5 | 122.61 | 1 |
| C2 | B1 | 126.51 | 1 |
| C7 | A2 | 129.47 | 1 |
| C8 | A6 | 129.47 | 1 |
| C5 | B2 | 130.15 | 1 |
| C6 | B6 | 130.15 | 1 |
| C11 | A1 | 130.42 | 1 |
| C3 | A3 | 130.60 | 1 |
| C4 | A5 | 130.60 | 1 |
| C1 | A4 | 134.39 | 1 |
| C12 | B4 | 151.99 | 1 |
| C13 | A | 165.32 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C9 | B3 | 121.85 | 1 |
| C10 | B5 | 121.85 | 1 |
| C2 | B1 | 125.92 | 1 |
| C7 | A2 | 128.88 | 1 |
| C8 | A6 | 128.88 | 1 |
| C5 | B2 | 129.50 | 1 |
| C6 | B6 | 129.50 | 1 |
| C11 | A1 | 128.94 | 1 |
| C3 | A3 | 129.72 | 1 |
| C4 | A5 | 129.72 | 1 |
| C1 | A4 | 133.93 | 1 |
| C12 | B4 | 150.62 | 1 |
| C13 | A | 164.51 | 1 |