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

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, decyl 4-(4-methoxyphenyl)cyclohexyl ester
SpectraBase Compound ID 8aDwMjdlvIx
InChI InChI=1S/C28H44O5/c1-5-6-7-8-9-10-11-12-21-32-26(29)28(2,3)27(30)33-25-19-15-23(16-20-25)22-13-17-24(31-4)18-14-22/h13-14,17-18,23,25H,5-12,15-16,19-21H2,1-4H3
InChIKey FARJRDIZHIVRNG-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C28H44O5
Exact Mass 460.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2yVWZhzevS
Name Dimethylmalonic acid, decyl 4-(4-methoxyphenyl)cyclohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.318874512 u
Formula C28H44O5
InChI InChI=1S/C28H44O5/c1-5-6-7-8-9-10-11-12-21-32-26(29)28(2,3)27(30)33-25-19-15-23(16-20-25)22-13-17-24(31-4)18-14-22/h13-14,17-18,23,25H,5-12,15-16,19-21H2,1-4H3
InChIKey FARJRDIZHIVRNG-UHFFFAOYSA-N
Molecular Weight 460.655 g/mol
SMILES C1=C(C=CC(=C1)C1CCC(CC1)OC(C(C(OCCCCCCCCCC)=O)(C)C)=O)OC