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METHYL-(4-Z)-4,8-DIMETHYL-12-OXO-DODECYL-2,4,6,8,10-PENTAENOATE
SpectraBase Compound ID I8Qj86My6VS
InChI InChI=1S/C15H18O3/c1-13(7-4-5-12-16)8-6-9-14(2)10-11-15(17)18-3/h4-12H,1-3H3/b5-4+,8-6+,11-10+,13-7+,14-9-
InChIKey MDXPQYRVTKKYEX-HGWFUOHVSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4NnB6utkGGB
Name METHYL-(4-Z)-4,8-DIMETHYL-12-OXO-DODECYL-2,4,6,8,10-PENTAENOATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-13(7-4-5-12-16)8-6-9-14(2)10-11-15(17)18-3/h4-12H,1-3H3/b5-4+,8-6+,11-10+,13-7+,14-9-
InChIKey MDXPQYRVTKKYEX-HGWFUOHVSA-N
Literature Reference Author A.Z.MERCADANTE,A.STECK,H.PFANDER
Literature Reference Citation PHYTOCHEM.,46,1379(1997)
Literature Reference DOI 10.1016/s0031-9422(97)00462-7
Molecular Weight 246.306 g/mol
Sample ID 45670
Solvent CDCl3