LBF18304HP04

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Upper classes



LBF18304HP04.png
Structural Information
Systematic Name Methyl-10,16-Dihydroperoxy-8,12,14-Octadecatrienoate
Common Name
Symbol
Formula C19H32O6
Exact Mass 356.219888756
Average Mass 356.45378
SMILES COC(=O)CCCCCCC=CC(OO)CC=CC=CC(CC)OO
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra GC-EI-MS(after reduction and TMS-derivatization)<<8084>>: m/e=468[M]; 439[M-CH2CH3]; 437[M-OCH3]; 378[M-HOTMS]; 349[439-HOTMS]; 271[SMTO=CHCH=CH(CH2)6COOCH3]; 197[M-271]; CI-MS(110): m/e=339[M+H-H20]; 323[M-OOH]; 305[323-H2O]; 199[CHOCH=CH(CH2)6COOCH3+H]
UV Spectra Conjugated diene: lmax=232nm<<8084>>
IR Spectra OOH group: 3700-3140cm-1[bonded], 3520-3510cm-1[free]; conjugated cis,trans diene: 985-979cm-1, 953-935cm-1; isolated trans unsaturation: 968-960cm-1<<8084>>
NMR Spectra 1H-NMR<<8084>>: C2: 2.31ppm; C7, 11, 17: 2.08ppm; C8, 9, 12, 13, 15: 5.25-6.25ppm; C10, 16: 4.34ppm; C14: 6.55ppm; C18: 0.93ppm; OOH: 8.04ppm<<8084>>
Chromatograms




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