Lignin_cw_compound_3047 (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 | 14.39 | 1 |
| C1 | BS-CH3 | 14.45 | 1 |
| C6 | GS-CH2 | 22.23 | 1 |
| C5 | BS-CH2 | 26.80 | 1 |
| C15 | G | 52.56 | 1 |
| C3 | 5OMe | 56.71 | 1 |
| C4 | 3OMe | 60.09 | 1 |
| C7 | 6 | 100.11 | 1 |
| C8 | A | 124.89 | 1 |
| C12 | 2 | 128.89 | 1 |
| C9 | 1 | 135.82 | 1 |
| C13 | 4 | 137.70 | 1 |
| C11 | B | 145.14 | 1 |
| C14 | 3 | 145.23 | 1 |
| C10 | 5 | 149.46 | 1 |
| H26 | GS-CH3 | 1.00 | 1 |
| H25 | GS-CH3 | 1.00 | 1 |
| H24 | GS-CH3 | 1.00 | 1 |
| H22 | BS-CH3 | 1.33 | 1 |
| H21 | BS-CH3 | 1.33 | 1 |
| H23 | BS-CH3 | 1.33 | 1 |
| H35 | GS-CH2 | 2.22 | 2 |
| H36 | GS-CH2 | 2.04 | 2 |
| H33 | BS-CH2 | 2.94 | 1 |
| H34 | BS-CH2 | 2.94 | 1 |
| H29 | 5OMe | 3.82 | 1 |
| H28 | 5OMe | 3.82 | 1 |
| H27 | 5OMe | 3.82 | 1 |
| H31 | 3OMe | 3.96 | 1 |
| H32 | 3OMe | 3.96 | 1 |
| H30 | 3OMe | 3.96 | 1 |
| H39 | G | 4.39 | 1 |
| H38 | A | 6.38 | 1 |
| H37 | 6 | 6.63 | 1 |