Lignin_cw_compound_295 (C13 H16 O5)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 252.26314
This is of the category: Monomers
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 17.40 | 1 |
| C2 | AcMe | 20.69 | 1 |
| C3 | OMe | 55.92 | 4 |
| C4 | OMe | 56.03 | 4 |
| C8 | B | 70.95 | 1 |
| C6 | 5 | 110.10 | 1 |
| C7 | 2 | 110.66 | 1 |
| C5 | 6 | 122.92 | 1 |
| C10 | 1 | 127.29 | 1 |
| C12 | 3 | 149.23 | 1 |
| C11 | 4 | 153.70 | 1 |
| C9 | AcC=O | 170.35 | 1 |
| C13 | A | 195.21 | 1 |
| H20 | G | 1.53 | 1 |
| H21 | G | 1.53 | 1 |
| H19 | G | 1.53 | 1 |
| H23 | AcMe | 2.15 | 1 |
| H22 | AcMe | 2.15 | 1 |
| H24 | AcMe | 2.15 | 1 |
| H25 | OMe | 3.93 | 4 |
| H27 | OMe | 3.93 | 4 |
| H26 | OMe | 3.93 | 4 |
| H29 | OMe | 3.96 | 4 |
| H30 | OMe | 3.96 | 4 |
| H28 | OMe | 3.96 | 4 |
| H34 | B | 5.96 | 1 |
| H32 | 5 | 6.91 | 1 |
| H33 | 2 | 7.52 | 1 |
| H31 | 6 | 7.59 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 17.70 | 1 |
| C2 | AcMe | 20.60 | 1 |
| C3 | OMe | 56.12 | 4 |
| C4 | OMe | 56.25 | 4 |
| C8 | B | 71.98 | 1 |
| C6 | 5 | 111.66 | 1 |
| C7 | 2 | 111.69 | 1 |
| C5 | 6 | 123.75 | 1 |
| C10 | 1 | 128.23 | 1 |
| C12 | 3 | 150.39 | 1 |
| C11 | 4 | 154.98 | 1 |
| C9 | AcC=O | 170.47 | 1 |
| C13 | A | 195.54 | 1 |
| H20 | G | 1.46 | 1 |
| H21 | G | 1.46 | 1 |
| H19 | G | 1.46 | 1 |
| H23 | AcMe | 2.05 | 1 |
| H22 | AcMe | 2.05 | 1 |
| H24 | AcMe | 2.05 | 1 |
| H29 | 3OMe | 3.86 | 1 |
| H30 | 3OMe | 3.86 | 1 |
| H28 | 3OMe | 3.86 | 1 |
| H25 | 4OMe | 3.90 | 1 |
| H27 | 4OMe | 3.90 | 1 |
| H26 | 4OMe | 3.90 | 1 |
| H34 | B | 5.97 | 1 |
| H32 | 5 | 7.06 | 1 |
| H33 | 2 | 7.50 | 1 |
| H31 | 6 | 7.67 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 17.32 | 1 |
| C2 | AcMe | 20.42 | 1 |
| C3 | OMe | 55.55 | 4 |
| C4 | OMe | 55.80 | 4 |
| C8 | B | 71.13 | 1 |
| C6 | 5 | 110.45 | 1 |
| C7 | 2 | 111.05 | 1 |
| C5 | 6 | 123.08 | 1 |
| C10 | 1 | 126.48 | 1 |
| C12 | 3 | 148.83 | 1 |
| C11 | 4 | 153.57 | 1 |
| C9 | AcC=O | 169.78 | 1 |
| C13 | A | 194.95 | 1 |
| H20 | G | 1.40 | 1 |
| H21 | G | 1.40 | 1 |
| H19 | G | 1.40 | 1 |
| H23 | AcMe | 2.06 | 1 |
| H22 | AcMe | 2.06 | 1 |
| H24 | AcMe | 2.06 | 1 |
| H25 | OMe | 3.81 | 4 |
| H27 | OMe | 3.81 | 4 |
| H26 | OMe | 3.81 | 4 |
| H29 | OMe | 3.85 | 4 |
| H30 | OMe | 3.85 | 4 |
| H28 | OMe | 3.85 | 4 |
| H34 | B | 5.99 | 1 |
| H32 | 5 | 7.08 | 1 |
| H33 | 2 | 7.43 | 1 |
| H31 | 6 | 7.68 | 1 |