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Dimethylmalonic acid, isohexyl 4-(4-methoxyphenyl)cyclohexyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, isohexyl 4-(4-methoxyphenyl)cyclohexyl ester
SpectraBase Compound ID 9l0YVwvSm8d
InChI InChI=1S/C24H36O5/c1-17(2)7-6-16-28-22(25)24(3,4)23(26)29-21-14-10-19(11-15-21)18-8-12-20(27-5)13-9-18/h8-9,12-13,17,19,21H,6-7,10-11,14-16H2,1-5H3
InChIKey UTKLXWSDVDWJOA-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C24H36O5
Exact Mass 404.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5pwuVNDmQUN
Name Dimethylmalonic acid, isohexyl 4-(4-methoxyphenyl)cyclohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.256274254 u
Formula C24H36O5
InChI InChI=1S/C24H36O5/c1-17(2)7-6-16-28-22(25)24(3,4)23(26)29-21-14-10-19(11-15-21)18-8-12-20(27-5)13-9-18/h8-9,12-13,17,19,21H,6-7,10-11,14-16H2,1-5H3
InChIKey UTKLXWSDVDWJOA-UHFFFAOYSA-N
Molecular Weight 404.547 g/mol
SMILES C1=C(C=CC(=C1)C1CCC(CC1)OC(C(C(OCCCC(C)C)=O)(C)C)=O)OC