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2-(4-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid bis(2-methylpropyl) ester
SpectraBase Compound ID 3CTFbScswMN
InChI InChI=1S/C23H31FO6/c1-13(2)11-29-21(26)19-17(25)10-23(5,28)20(22(27)30-12-14(3)4)18(19)15-6-8-16(24)9-7-15/h6-9,13-14,18-20,28H,10-12H2,1-5H3
InChIKey XPJNTNUMQIGRLO-UHFFFAOYSA-N
Mol Weight 422.49 g/mol
Molecular Formula C23H31FO6
Exact Mass 422.210467 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xnAxvNVbM
Name 2-(4-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid bis(2-methylpropyl) ester
Alternate Name(s) 2-(4-fluorophenyl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid diisobutyl ester bis(2-methylpropyl) 2-(4-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate bis(2-methylpropyl) 2-(4-fluorophenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Diisobutyl 2-(4-fluorophenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate diisobutyl 2-(4-fluorophenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate
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Formula C23H31FO6
InChI InChI=1S/C23H31FO6/c1-13(2)11-29-21(26)19-17(25)10-23(5,28)20(22(27)30-12-14(3)4)18(19)15-6-8-16(24)9-7-15/h6-9,13-14,18-20,28H,10-12H2,1-5H3
InChIKey XPJNTNUMQIGRLO-UHFFFAOYSA-N
Molecular Weight 422.493 g/mol
SMILES OC1(C(C(C(C(C1)=O)C(OCC(C)C)=O)c1ccc(cc1)F)C(OCC(C)C)=O)C
SPLASH splash10-0kbf-9572000000-24173930c25e771d7766
Wiley ID 1444785