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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 CSFelkBl5yN
Name (2E,4E)-hexa-2,4-dienedioic acid bis(5-methyl-2-propan-2-ylcyclohexyl) ester
Alternate Name(s) 1,3-Butadiene-1,4-dicarboxylic acid, dimenthyl ester (2E,4E)-muconic acid bis(2-isopropyl-5-methyl-cyclohexyl) ester bis(2-isopropyl-5-methyl-cyclohexyl) (2E,4E)-hexa-2,4-dienedioate Bis(2-isopropyl-5-methylcyclohexyl) (2E,4E)-2,4-hexadienedioate bis(5-methyl-2-propan-2-yl-cyclohexyl) (2E,4E)-hexa-2,4-dienedioate
CAS Registry Number 74420-99-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 418.618 g/mol
SMILES CC1CCC(C(OC(\C=C\C=C\C(OC2C(CCC(C)C2)C(C)C)=O)=O)C1)C(C)C
SPLASH splash10-0019-9610000000-643a15cc4b2b76aee30a
Wiley ID 1507114