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[(3S(1S,2R,5S)-Bis[5-methyl-2-(1-methylethyl)cyclohexyl] 2,3-Pentadienedioate
SpectraBase Compound ID 3eFz9653ysX
InChI InChI=1S/C25H40O4/c1-16(2)20-12-10-18(5)14-22(20)28-24(26)8-7-9-25(27)29-23-15-19(6)11-13-21(23)17(3)4/h8-9,16-23H,10-15H2,1-6H3/t7?,18-,19-,20+,21+,22-,23-/m0/s1
InChIKey LOYAHPRFQHWQEI-OZIOBMDLSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kPzWkw8DEv
Name [(3S(1S,2R,5S)-Bis[5-methyl-2-(1-methylethyl)cyclohexyl] 2,3-Pentadienedioate
Alternate Name(s) Penta-2,3-dienedioic acid bis(5-methyl-2-propan-2-ylcyclohexyl) ester bis(5-methyl-2-propan-2-ylcyclohexyl) penta-2,3-dienedioate bis(2-isopropyl-5-methyl-cyclohexyl) penta-2,3-dienedioate bis(5-methyl-2-propan-2-yl-cyclohexyl) penta-2,3-dienedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-16(2)20-12-10-18(5)14-22(20)28-24(26)8-7-9-25(27)29-23-15-19(6)11-13-21(23)17(3)4/h8-9,16-23H,10-15H2,1-6H3/t7?,18-,19-,20+,21+,22-,23-/m0/s1
InChIKey LOYAHPRFQHWQEI-OZIOBMDLSA-N
Molecular Weight 404.591 g/mol
SMILES [C@@]1([C@](CC[C@@](C1)(C)[H])(C(C)C)[H])(OC(C=C=CC(O[C@@]1([C@](CC[C@@](C1)(C)[H])(C(C)C)[H])[H])=O)=O)[H]
SPLASH splash10-0v4j-0090000000-af378cbdfd5476b289fd
Source of Spectrum J-61-2036-2
Wiley ID 1371511