Methyl 4-hydroxybenzoate (C8 H8 O3)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 152.14732
This is of the category: Monomers
Concentration: 124 mg/ml (Source: Aldrich)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 52.12 | 1 |
| C4 | 3 | 115.31 | 1 |
| C5 | 5 | 115.31 | 1 |
| C6 | 1 | 122.22 | 1 |
| C2 | 2 | 131.97 | 1 |
| C3 | 6 | 131.97 | 1 |
| C7 | 4 | 160.36 | 1 |
| C8 | A | 167.53 | 1 |
| H13 | OMe | 3.90 | 1 |
| H14 | OMe | 3.90 | 1 |
| H12 | OMe | 3.90 | 1 |
| H17 | 3 | 6.89 | 1 |
| H18 | 5 | 6.89 | 1 |
| H15 | 2 | 7.95 | 1 |
| H16 | 6 | 7.95 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 51.86 | 1 |
| C4 | 3 | 116.00 | 1 |
| C5 | 5 | 116.00 | 1 |
| C6 | 1 | 122.33 | 1 |
| C2 | 2 | 132.37 | 1 |
| C3 | 6 | 132.37 | 1 |
| C7 | 4 | 162.58 | 1 |
| C8 | A | 167.07 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 51.55 | 1 |
| C4 | 3 | 115.31 | 1 |
| C5 | 5 | 115.31 | 1 |
| C6 | 1 | 120.29 | 1 |
| C2 | 2 | 131.40 | 1 |
| C3 | 6 | 131.40 | 1 |
| C7 | 4 | 161.97 | 1 |
| C8 | A | 166.05 | 1 |