Methyl-12,15-Epdioxy-16-Hydroperoxy-9,13-Octadecadienoate
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Structural Information
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Methyl-12,15-Epdioxy-16-Hydroperoxy-9,13-Octadecadienoate
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- Methyl-12,15-Epdioxy-16-Hydroperoxy-9,13-Octadecadienoate
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Formula
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C19H34O6
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Exact Mass
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358.23553882
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Average Mass
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358.46966000000003
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SMILES
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COC(=O)CCCCCCCCCCC(C=1)OOC(C1)C(CC)OO
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Physicochemical Information
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Spectral Information
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Mass Spectra
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GC-EI-MS(after reduction(PH3P) and TMS-derivatization)
Neff_WE et al.: 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)
Neff_WE et al.
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UV Spectra
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IR Spectra
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OOH group: 3635-3300cm-1[bonded]; olefinic protons: 3005cm-1; isolated trans unsaturation: 965cm-1
Neff_WE et al.
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NMR Spectra
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1H-NMR
Neff_WE et al.: 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
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Other Spectra
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Chromatograms
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