LBF18206HP04

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Upper classes: LB LBF


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8-Hydroperoxy-9,12-Octadecadienoic Acid
LBF18206HP04.png
Structural Information
8-Hydroperoxy-9,12-Octadecadienoic Acid
  • 8-Hydroperoxy-9,12-Octadecadienoic Acid
Formula C18H32O4
Exact Mass 312.23005951199997
Average Mass 312.44428
SMILES CCCCCC=CCC=CC(OO)CCCCCCC(O)=O
Physicochemical Information
Spectral Information
Mass Spectra GC-EI-MS(after methanolysis, reduction and trimethylsilylation) HaslbeckFet al.: m/e= 292[M-HOTMS], 271[CH=CH-CH(OTMS)-(CH2)6COOCH3], 239[M-(CH2)6C00CH3], 173[SMTO=CH-(CH2)6COOCH3-TMS+H], 149[239-HOTMS] standard peak
UV Spectra
IR Spectra
NMR Spectra 1H-NMR (after methanolyzation, reduction and 400MHz ) HaslbeckFet al.: olefinic protons(5.91-5.51ppm), C8 (4.45ppm), C11(2.84ppm), C14(2.05ppm),J9-10= J12-13= 10.7Å }0.2Hz (cis)
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18206HP04 See above. Haslbeck_F et al. 1983