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(E,E)-9-Oxooctadeca-10,12-dienoic-acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

(E,E)-9-Oxooctadeca-10,12-dienoic-acid
SpectraBase Compound ID H7lItbXlUME
InChI InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+
InChIKey LUZSWWYKKLTDHU-SIGMCMEVSA-N
Mol Weight 294.43 g/mol
Molecular Formula C18H30O3
Exact Mass 294.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 432iNS5FDOn
Name (E,E)-9-OXOOCTADECA-10,12-DIENOIC-ACID
Compound Number 3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H30O3
InChI InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+
InChIKey LUZSWWYKKLTDHU-SIGMCMEVSA-N
Literature Reference Author H.KAWAGISHI,T.MIYAZAWA,H.KUME,Y.ARIMOTO,T.INAKUMA
Literature Reference Citation J.NAT.PROD.,65,1712(2002)
Literature Reference DOI 10.1021/np020200j
Molecular Weight 294.434 g/mol
Solvent CDCl3
Source File Reference UWSI7294