Lignin_cw_compound_3046 (C15 H20 O3 S2)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 312.4475
This is of the category: Misc. Compounds
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | GS-CH3 | 15.11 | 1 |
| C6 | BS-CH3 | 15.41 | 1 |
| C1 | BS-CH2 | 26.33 | 1 |
| C5 | GS-CH2 | 29.12 | 1 |
| C8 | A | 41.68 | 1 |
| C3 | 5OMe | 56.91 | 1 |
| C4 | 3OMe | 62.30 | 1 |
| C7 | 6 | 105.00 | 1 |
| C15 | G | 126.93 | 1 |
| C12 | 2 | 131.50 | 1 |
| C9 | 1 | 133.78 | 1 |
| C14 | 3 | 104.04 | 1 |
| C13 | 4 | 141.58 | 1 |
| C10 | 5 | 147.06 | 1 |
| C11 | B | 148.43 | 1 |
| H24 | GS-CH3 | 1.15 | 1 |
| H26 | GS-CH3 | 1.15 | 1 |
| H25 | GS-CH3 | 1.15 | 1 |
| H22 | BS-CH3 | 1.30 | 1 |
| H23 | BS-CH3 | 1.30 | 1 |
| H21 | BS-CH3 | 1.30 | 1 |
| H35 | GS-CH2 | 2.89 | 1 |
| H36 | GS-CH2 | 2.89 | 1 |
| H33 | BS-CH2 | 2.95 | 1 |
| H34 | BS-CH2 | 2.95 | 1 |
| H38 | A | 3.58 | 1 |
| H39 | A | 3.58 | 1 |
| H29 | 5OMe | 3.82 | 1 |
| H27 | 5OMe | 3.82 | 1 |
| H28 | 5OMe | 3.82 | 1 |
| H32 | 3OMe | 3.85 | 1 |
| H31 | 3OMe | 3.85 | 1 |
| H30 | 3OMe | 3.85 | 1 |
| H37 | 6 | 6.87 | 1 |