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7,11-Dimethyl-3-(1,3-dioxan-2-yl)-(E,E)-2,6,10-dodecatrienoic acid, methyl ester
SpectraBase Compound ID KnrM1eg0TO
InChI InChI=1S/C19H30O4/c1-15(2)8-5-9-16(3)10-6-11-17(14-18(20)21-4)19-22-12-7-13-23-19/h8,10,14,19H,5-7,9,11-13H2,1-4H3/b16-10+,17-14-
InChIKey IIFCVMVNPMUZDW-CDEAFOTRSA-N
Mol Weight 322.45 g/mol
Molecular Formula C19H30O4
Exact Mass 322.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6gVOh9DBdLf
Name 7,11-Dimethyl-3-(1,3-dioxan-2-yl)-(E,E)-2,6,10-dodecatrienoic acid, methyl ester
Comments reassigned
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Formula C19H30O4
InChI InChI=1S/C19H30O4/c1-15(2)8-5-9-16(3)10-6-11-17(14-18(20)21-4)19-22-12-7-13-23-19/h8,10,14,19H,5-7,9,11-13H2,1-4H3/b16-10+,17-14-
InChIKey IIFCVMVNPMUZDW-CDEAFOTRSA-N
Instrument Name SF = 300 MHz
Literature Reference L.J. Reynolds, B.P. Morgan, G.A.Hite, J. Am. Chem. Soc. 110, 5172 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3