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(2E,4E)-hexa-2,4-dienedioic acid bis(5-methyl-2-propan-2-ylcyclohexyl) ester
SpectraBase Compound ID 8t33E5V1QuT
InChI InChI=1S/C26H42O4/c1-17(2)21-13-11-19(5)15-23(21)29-25(27)9-7-8-10-26(28)30-24-16-20(6)12-14-22(24)18(3)4/h7-10,17-24H,11-16H2,1-6H3/b9-7+,10-8+
InChIKey VLRZXSWNLLWAKN-FIFLTTCUSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AL2HdkLVNgL
Name 2,4-HEXADIENEDIOIC ACID, BIS[5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL] ESTER, [1alpha(1R*,2S*,5R*),2beta,5alpha]-
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Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-17(2)21-13-11-19(5)15-23(21)29-25(27)9-7-8-10-26(28)30-24-16-20(6)12-14-22(24)18(3)4/h7-10,17-24H,11-16H2,1-6H3/b9-7+,10-8+
InChIKey VLRZXSWNLLWAKN-FIFLTTCUSA-N
Instrument Name CH5
Molecular Weight 418.3072
SMILES CC1CC(OC(\C=C\C=C\C(OC2CC(C)CCC2C(C)C)=O)=O)C(C(C)C)CC1
SPLASH splash10-0019-9610000000-32f05f30ee9c89f401a8
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany