LBF18205HP01

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Latest revision as of 09:00, 1 October 2008



Upper classes



LBF18205HP01.png
Structural Information
Systematic Name Methyl-12,15-Epdioxy-16-Hydroperoxy-9,13-Octadecadienoate
Common Name
Symbol
Formula C19H34O6
Exact Mass 358.23553882
Average Mass 358.46966000000003
SMILES COC(=O)CCCCCCCCCCC(C=1)OOC(C1)C(CC)OO
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra GC-EI-MS(after reduction(PH3P) and TMS-derivatization)<<8085>>: m/e=412[M]; 322[M-HOTMS]; 281[M-131]; 197[CH2CH=CH(CH2)7COOCH3]; 183[CH=CH(CH2)7COOCH3]; 131[SMTO=CHCH2CH3]; GC-EI-MS(after reduction, hydrogenation and TMS-derivatization)<<8085>>
UV Spectra
IR Spectra OOH group: 3635-3300cm-1[bonded]; olefinic protons: 3005cm-1; isolated trans unsaturation: 965cm-1 <<8085>>
NMR Spectra 1H-NMR<<8085>>: C8: 2.05ppm; C9, 10: 5.45ppm; C11: 2.0ppm; C12: 4.48ppm; C13, 14: 5.98ppm; C15: 4.65ppm; C16: 4.22ppm; C17: 1.6ppm; OOH: 8.65ppm
Chromatograms




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