Dihydrocoumaric Acid (C9 H10 O3)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 166.1739
This is of the category: Monomers
Concentration: 120 mg/ml (Source: Irwin A. Pearl)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | A | 29.94 | 1 |
| C6 | B | 35.75 | 1 |
| C4 | 3 | 115.46 | 1 |
| C5 | 5 | 115.46 | 1 |
| C1 | 2 | 129.36 | 1 |
| C2 | 6 | 129.36 | 1 |
| C7 | 1 | 132.10 | 1 |
| C8 | 4 | 154.55 | 1 |
| C9 | G | 176.90 | 1 |
| H19 | B | 2.63 | 1 |
| H20 | B | 2.63 | 1 |
| H15 | A | 2.88 | 1 |
| H16 | A | 2.88 | 1 |
| H17 | 3 | 6.77 | 1 |
| H18 | 5 | 6.77 | 1 |
| H13 | 2 | 7.06 | 1 |
| H14 | 6 | 7.06 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | A | 30.68 | 1 |
| C6 | B | 36.33 | 1 |
| C4 | 3 | 115.99 | 1 |
| C5 | 5 | 115.99 | 1 |
| C1 | 2 | 130.00 | 1 |
| C2 | 6 | 130.00 | 1 |
| C7 | 1 | 132.54 | 1 |
| C8 | 4 | 156.42 | 1 |
| C9 | G | 174.68 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | A | 29.58 | 1 |
| C6 | B | 35.70 | 1 |
| C4 | 3 | 115.04 | 1 |
| C5 | 5 | 115.04 | 1 |
| C1 | 2 | 129.00 | 1 |
| C2 | 6 | 129.00 | 1 |
| C7 | 1 | 130.92 | 1 |
| C8 | 4 | 155.46 | 1 |
| C9 | G | 173.81 | 1 |