Methyl-9,15-Dihydroperoxy-10,12,16-Octadecatrienoate
|
|
Structural Information
|
|
Methyl-9,15-Dihydroperoxy-10,12,16-Octadecatrienoate
|
|
- Methyl-9,15-Dihydroperoxy-10,12,16-Octadecatrienoate
|
|
|
Formula
|
C19H32O6
|
Exact Mass
|
356.219888756
|
Average Mass
|
356.45378
|
SMILES
|
CC=CC(OO)CC=CC=CC(OO)CCCCCCCC(=O)OC
|
Physicochemical Information
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Spectral Information
|
Mass Spectra
|
GC-EI-MS(after reduction and TMS-derivatization)
Neff_WE et al.: m/e=157[(CH2)7COOCH3] 143[SMTO=CHCH=CHCH3]
|
UV Spectra
|
Conjugated diene: lmax=237nm
Neff_WE et al.
|
IR Spectra
|
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.
|
NMR Spectra
|
1H-NMR
Neff_WE et al.: C2: 2.31ppm; C8, 14: 1.75-1.85ppm; C9, 15: 4.40ppm; C10, 11, 12, 13, 16, 17: 5.25-6.90ppm; C18: 1.8ppm; OOH: 7.83-7.88ppm
Neff_WE et al.
|
Other Spectra
|
|
Chromatograms
|
|