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

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 4-(4-methoxyphenyl)cyclohexyl octyl ester
SpectraBase Compound ID ERjysnsBCfX
InChI InChI=1S/C26H40O5/c1-5-6-7-8-9-10-19-30-24(27)26(2,3)25(28)31-23-17-13-21(14-18-23)20-11-15-22(29-4)16-12-20/h11-12,15-16,21,23H,5-10,13-14,17-19H2,1-4H3
InChIKey KPJMGEGBSKAEQQ-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C26H40O5
Exact Mass 432.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I8tFHiXPKim
Name Dimethylmalonic acid, 4-(4-methoxyphenyl)cyclohexyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.287574383 u
Formula C26H40O5
InChI InChI=1S/C26H40O5/c1-5-6-7-8-9-10-19-30-24(27)26(2,3)25(28)31-23-17-13-21(14-18-23)20-11-15-22(29-4)16-12-20/h11-12,15-16,21,23H,5-10,13-14,17-19H2,1-4H3
InChIKey KPJMGEGBSKAEQQ-UHFFFAOYSA-N
Molecular Weight 432.601 g/mol
SMILES C1=C(C=CC(=C1)C1CCC(CC1)OC(C(C(OCCCCCCCC)=O)(C)C)=O)OC