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(R,E)-2,5,5-trimethyl-2-(4,8,12-trimethyltridec-3-en-1-yl)-1,3-dioxane
SpectraBase Compound ID GktpsUuUKaw
InChI InChI=1S/C23H44O2/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-23(7)24-17-22(5,6)18-25-23/h15,19-20H,8-14,16-18H2,1-7H3/b21-15+/t20-/m1/s1
InChIKey HALGESSBEJXZMN-LNKKFFRNSA-N
Mol Weight 352.6 g/mol
Molecular Formula C23H44O2
Exact Mass 352.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IHra2vgHIu8
Name (R,E)-2,5,5-trimethyl-2-(4,8,12-trimethyltridec-3-en-1-yl)-1,3-dioxane
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Formula C23H44O2
InChI InChI=1S/C23H44O2/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-23(7)24-17-22(5,6)18-25-23/h15,19-20H,8-14,16-18H2,1-7H3/b21-15+/t20-/m1/s1
InChIKey HALGESSBEJXZMN-LNKKFFRNSA-N
Ionization Type EI
Molecular Weight 352.603 g/mol
SMILES CC1(COC(CC\C=C\(CCC[C@@](CCCC(C)C)(C)[H])C)(C)OC1)C
SPLASH splash10-004i-5901000000-2cc59316d767fa0887b9
Sample Comments E/Z = 99.8:0.2
Source of Spectrum WO2014096065A1
Wiley ID 1850028