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5(E),9(Z),12(Z)-octadecatrienoate

View entire compound with spectra: 1 NMR, and 2 MS (GC)

5(E),9(Z),12(Z)-octadecatrienoate <methyl->
SpectraBase Compound ID 7PRhhZK1Bkp
InChI InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11,14-15H,3-6,9,12-13,16-18H2,1-2H3/b8-7-,11-10-,15-14+
InChIKey UHRQLTPSFITDRF-AXERUTLSSA-N
Mol Weight 292.5 g/mol
Molecular Formula C19H32O2
Exact Mass 292.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L5EXc5DQIMW
Name trans-5,cis-9,cis-12-Octadecatrienoic acid, methyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H32O2
InChI InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11,14-15H,3-6,9,12-13,16-18H2,1-2H3/b8-7-,11-10-,15-14+
InChIKey UHRQLTPSFITDRF-AXERUTLSSA-N
Instrument Name Bruker WH-90
Literature Reference J. Bus, I. Sies, M. Lie Ken Jie, Chem. Phys. Lipids 17, 501 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3