Lignin_cw_compound_264 (C10 H12 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 196.19988
This is of the category: Monomers
Concentration: Saturated (Source: Irwin A. Pearl)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 22.91 | 1 |
| C2 | OMe | 56.19 | 1 |
| C6 | B | 68.89 | 1 |
| C5 | 2 | 110.64 | 1 |
| C4 | 5 | 114.30 | 1 |
| C3 | 6 | 124.08 | 1 |
| C7 | 1 | 125.91 | 1 |
| C9 | 3 | 147.10 | 1 |
| C8 | 4 | 151.41 | 1 |
| C10 | A | 200.75 | 1 |
| H15 | G | 1.46 | 1 |
| H16 | G | 1.46 | 1 |
| H17 | G | 1.46 | 1 |
| H18 | OMe | 3.96 | 1 |
| H19 | OMe | 3.96 | 1 |
| H20 | OMe | 3.96 | 1 |
| H24 | B | 5.13 | 1 |
| H26 | 4-OH | 6.61 | 1 |
| H22 | 5 | 6.98 | 1 |
| H21 | 6 | 7.48 | 1 |
| H23 | 2 | 7.54 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 22.69 | 1 |
| C2 | OMe | 56.33 | 1 |
| C6 | B | 69.42 | 1 |
| C5 | 2 | 112.20 | 1 |
| C4 | 5 | 115.60 | 1 |
| C3 | 6 | 124.65 | 1 |
| C7 | 1 | 127.08 | 1 |
| C9 | 3 | 148.48 | 1 |
| C8 | 4 | 152.84 | 1 |
| C10 | A | 201.10 | 1 |
| H15 | G | 1.35 | 1 |
| H16 | G | 1.35 | 1 |
| H17 | G | 1.35 | 1 |
| H18 | OMe | 3.91 | 1 |
| H19 | OMe | 3.91 | 1 |
| H20 | OMe | 3.91 | 1 |
| H25 | B-OH | 4.10 | 1 |
| H24 | B | 5.13 | 1 |
| H22 | 5 | 6.94 | 1 |
| H21 | 2 | 7.57 | 1 |
| H23 | 6 | 7.60 | 1 |
| H26 | 4-OH | 8.61 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 21.17 | 1 |
| C2 | OMe | 55.57 | 1 |
| C6 | B | 68.10 | 1 |
| C5 | 2 | 111.74 | 1 |
| C4 | 5 | 114.89 | 1 |
| C3 | 6 | 123.51 | 1 |
| C7 | 1 | 126.15 | 1 |
| C9 | 3 | 147.48 | 1 |
| C8 | 4 | 151.73 | 1 |
| C10 | A | 199.72 | 1 |