LBF18303HP03

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Upper classes



LBF18303HP03.png
Structural Information
Systematic Name 13-Hydroperoxy-9,11,15-Octadecatrienoic Acid/13-Hydroperoxy-9,11,15-Octadecatrienoate
Common Name
Symbol
Formula C18H30O4
Exact Mass 310.21440944799997
Average Mass 310.4284
SMILES CCC=CCC(OO)C=CC=CCCCCCCCC(O)=O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra EI-MS(Me-ester; after reduction and hydrogenation)<<8020/8076>>: m/e=243[O=CH(CH2)11C(=OH)OCH3]; 214[CH2(CH2)10C(=OH)OCH3]; 211[O=CH(CH2)11C=O], GC-EI-MS(Me-ester; after reduction and TMS)<<8090/8077>>: m/e=380[M]; 365[M-CH3]; 311[SMTO=CH-CH=CH-CH=CH-(CH2)7-COOCH3]
UV Spectra (Me-ester; after reduction; in etoh)<<8076>>, cis, trans, cis isomer: lmax=233nm, trans, trans, cis isomer: lmax=232nm
IR Spectra (Me-ester; after reduction)<<8076/8077>>, cis, trans, cis isomer: 989-983 and 950-945cm-1; trans, trans, cis isomer: 992-983cm-1, (Me-ester)<<8078>>, OOH group: 3400cm-1
NMR Spectra 1H-NMR(cis,trans,cis-isomer)<<8011>>: C10: 5.95ppm; C11: 6.54ppm; C12: 5.54ppm; C13: 4.38ppm; J10-11=11Hz; J11-12=15Hz[C11-12: trans]; J12-13=8Hz 1H-NMR(cis,trans,cis-isomer; after reduction)<<8011>>: C10: 5.94ppm; C11: 6.49ppm; C12: 5.64ppm; C13: 4.20ppm
Chromatograms




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