13-Hydroxy-9-Oxo-11-Octadecenoic Acid
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Structural Information
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13-Hydroxy-9-Oxo-11-Octadecenoic Acid
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- 13-Hydroxy-9-Oxo-11-Octadecenoic Acid
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Formula
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C18H32O4
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Exact Mass
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312.23005951199997
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Average Mass
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312.44428
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SMILES
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CCCCCC(O)C=CCC(=O)CCCCCCCC(O)=O
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Physicochemical Information
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Spectral Information
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Mass Spectra
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GC-EI-MS(after methanolysis and trimethylsilylation)
Gardner_HW et al.
Sessa_DJ et al.
Gardner_HW et al.: m/e=398[M], 383[M-CH3], 367[M-OCH3], 327[M-(CH2)4CH3], 241[M-(CH2)7COOCH3], 199[CH2CO(CH2)7COOCH3], 185[CO(CH2)7COOCH3], 173[SMTO=CH-(CH2)4CH3]GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation)
Gardner_HW et al.
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UV Spectra
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IR Spectra
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Metyl ester(CS2): isolated trans olefin(970cm-1), keto carbonyl(1717cm-1), OH(3460cm-1)
Gardner_HW et al.
Sessa_DJ et al.
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NMR Spectra
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1H-NMR(methyl ester, trans ene)
Gardner_HW et al.: C2, 8(2.33ppm), C10(3.11ppm), C11(5.7ppm) C12(5.56ppm), C13(4.08ppm)
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Other Spectra
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Chromatograms
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