LBF18206HP01

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Upper classes



LBF18206HP01.png
Structural Information
Systematic Name 9-Hydroperoxy-10,12-Octadecadienoic Acid/9-Hydroperoxy-10,12-Octadecadienoate
Common Name
Symbol
Formula C18H32O4
Exact Mass 312.23005951199997
Average Mass 312.44428
SMILES CCCCCC=CC=CC(OO)CCCCCCCC(O)=O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra GC/EI-MS(after methanolysis, reduction and trimethylsilylation) <<8012/8018/8013/8019/8014>>: m/e= 382[M], 292[M-HOTMS], 311[M-(CH2)4CH3], 225[M-(CH2)7COOCH3] standard peak/ GC-EI-MS(after methylation, reduction and hydrogenation) <<8020/8015/8016>>: m/e= 187[CH(OH)(CH2)7COOCH3], 158[(CH2)7COOCH3+H], 155[C(OH)-(CH)7CO]
UV Spectra Trans, cis isomer: l max=236nm, e =25900, trans, trans isomer: l max=233nm, e=28600 <<8001/8002/8003/8004/8005/8011>>
IR Spectra Methyl ester: <<8001/8005/8006/8007/8008/8009/8010/8011>>: trans, cis isomer: 986 and 949cm-1, trans, trans isomer: 989cm-1, OOH group: 3550cm-1
NMR Spectra 1H-NMR<<8001/8012>>, 1H-NMR( after methanolyzation and reduction)<<8005/8017>>: trans,cis isomer: C10-13 (5.42-6.48ppm), C14 (2.10-2.18ppm), C9(4.15ppm), J10-11= 15.4Hz(trans), J12-13= 10.8Hz (cis), trans, trans isomer: olefinic protons (5.41ppm), C14 (2.07ppm), C9 (4.20ppm)
Chromatograms




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