Lignin_cw_compound_2048 (C12 H16 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 224.25304
This is of the category: Misc. Compounds
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | CH3 | 15.03 | 1 |
| C2 | CH3 | 19.95 | 1 |
| C3 | OMe | 55.90 | 1 |
| C4 | CH2 | 61.72 | 1 |
| C9 | CH | 100.61 | 1 |
| C7 | 2 | 109.81 | 1 |
| C6 | 5 | 116.59 | 1 |
| C5 | 6 | 126.06 | 1 |
| C10 | 1 | 130.97 | 1 |
| C12 | 3 | 150.78 | 1 |
| C11 | 4 | 151.64 | 1 |
| C8 | A | 190.89 | 1 |
| H17 | CH3 | 1.21 | 1 |
| H18 | CH3 | 1.21 | 1 |
| H19 | CH3 | 1.21 | 1 |
| H20 | CH3 | 1.58 | 1 |
| H21 | CH3 | 1.58 | 1 |
| H22 | CH3 | 1.58 | 1 |
| H26 | CH2 | 3.675 | 1 |
| H27 | CH2 | 3.675 | 1 |
| H23 | OMe | 3.92 | 1 |
| H24 | OMe | 3.92 | 1 |
| H25 | OMe | 3.92 | 1 |
| H9 | CH | 3.92 | 1 |
| H28 | Aromatics | 7.43 | 4 |
| H29 | Aromatics | 7.43 | 4 |
| H30 | Aromatics | 7.43 | 4 |
| H31 | A | 9.87 | 1 |