Methyl-10,13-Epdioxy-9-Hydroperoxy-11,15-Octadecadienoate
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Structural Information
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Methyl-10,13-Epdioxy-9-Hydroperoxy-11,15-Octadecadienoate
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- Methyl-10,13-Epdioxy-9-Hydroperoxy-11,15-Octadecadienoate
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Formula
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C19H32O6
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Exact Mass
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356.219888756
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Average Mass
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356.45378
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SMILES
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CCC=CCC(C=1)OOC(C1)C(OO)CCCCCCCC(=O)OC
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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]; 259[SMTO=CH(CH2)7COOCH3]; 153[M-259]; 69[CH2CH=CHCH2CH3]; 55[CH=CHCH2CH3]; GC-EI-MS(after reduction, hydrogenation, and TMS-derivatization)(106): m/e=457[M-CH3-HOTMS]
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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: 1.6ppm; C9: 4.22ppm; C10: 4.65ppm; C11, 12: 5.98ppm; C13: 4.48ppm; C14: 2.0ppm; C15, 16: 5.45ppm; C17: 2.05ppm; OOH: 8.65ppm
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Other Spectra
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Chromatograms
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