Phenol (C6 H6 O)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 94.11124
This is of the category: Monomers
Concentration: 108 mg/ml (Source: Aldrich)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C4 | 3 | 115.41 | 1 |
| C5 | 5 | 115.41 | 1 |
| C1 | 1 | 120.89 | 1 |
| C2 | 2 | 129.71 | 1 |
| C3 | 6 | 129.71 | 1 |
| C6 | 4 | 155.25 | 1 |
| H11 | 3 | 6.84 | 1 |
| H12 | 5 | 6.84 | 1 |
| H8 | 1 | 6.93 | 1 |
| H9 | 2 | 7.22 | 1 |
| H10 | 6 | 7.22 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C4 | 3 | 116.03 | 1 |
| C5 | 5 | 116.03 | 1 |
| C1 | 1 | 120.13 | 1 |
| C2 | 2 | 130.16 | 1 |
| C3 | 6 | 130.16 | 1 |
| C6 | 4 | 158.16 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C4 | 3 | 115.18 | 1 |
| C5 | 5 | 115.18 | 1 |
| C1 | 1 | 118.70 | 1 |
| C2 | 2 | 129.26 | 1 |
| C3 | 6 | 129.26 | 1 |
| C6 | 4 | 157.29 | 1 |