Methyl-10,12-Dihydroperoxy-8,13,15-Octadecatrienoate
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Structural Information
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Methyl-10,12-Dihydroperoxy-8,13,15-Octadecatrienoate
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- Methyl-10,12-Dihydroperoxy-8,13,15-Octadecatrienoate
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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=CC=CC(OO)CC(OO)C=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 and TMS-derivatization)
Neff_WE et al.: m/e=468[M]; 453[M-OCH3]; 437[M-OC H3]; 378[M-HOTMS]; 271[SMTO=CHCH=CH(CH2)6COOCH3]; 183[SMTO=CHCH=CHCH=CHCH2 CH3]; CI-MS(110) m/e=339[M+H-H20]; 323[M-OOH]; 305[323-H20]; 199[CHOCH=CH(CH2)6COOCH3+H]
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UV Spectra
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Conjugated diene: lmax=231-233nm
Neff_WE et al.
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IR Spectra
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OOH group: 3700-3140cm-1[bonded], 3520-3510cm-1[free]; conjugated trans, cis diene: 985-979cm-1, 953-935cm-1; isolated trans unsaturation: 968-960cm-1
Neff_WE et al.
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NMR Spectra
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1H-NMR
Neff_WE et al.: C2, 7, 11, 17: 1.8-2.5ppm; C8, 9, 13, 15, 16: 5.3-6.1ppm; C10, 12: 4.49- 4.51ppm; C14: 6.60-6.63ppm; C18: 1.01-1.10ppm; OOH: 8.02-8.05ppm
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Other Spectra
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Chromatograms
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