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3-(1-(Methoxycarbonyl)ethyl)-6-methyl-6-(4,8,12-trimethyltrideca-3,7,11-trienyl)-1,2-dioxacyclohexane
SpectraBase Compound ID ADnTbZRqOul
InChI InChI=1S/C25H42O4/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-17-25(6)18-16-23(28-29-25)22(5)24(26)27-7/h11,13,15,22-23H,8-10,12,14,16-18H2,1-7H3/b20-13+,21-15+
InChIKey LCYOYORSUQYOEM-RSKMIKRQSA-N
Mol Weight 406.6 g/mol
Molecular Formula C25H42O4
Exact Mass 406.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GBGDvitf8T2
Name 3-(1-(Methoxycarbonyl)ethyl)-6-methyl-6-(4,8,12-trimethyltrideca-3,7,11-trienyl)-1,2-dioxacyclohexane
Alternate Name(s) Methyl 2-{6-methyl-6-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-1,2-dioxan-3-yl}propanoate
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Formula C25H42O4
InChI InChI=1S/C25H42O4/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-17-25(6)18-16-23(28-29-25)22(5)24(26)27-7/h11,13,15,22-23H,8-10,12,14,16-18H2,1-7H3/b20-13+,21-15+
InChIKey LCYOYORSUQYOEM-RSKMIKRQSA-N
Molecular Weight 406.607 g/mol
SMILES C(C(=O)OC)(C1OOC(CC1)(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)C
SPLASH splash10-014i-9000000000-3a78fcf1c3ea92993e8f
Source of Spectrum F-41-3401-0
Wiley ID 1372354