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Dimethylmalonic acid, cis-4-methylcyclohexyl tetradecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, cis-4-methylcyclohexyl tetradecyl ester
SpectraBase Compound ID FJE0kt2eQIv
InChI InChI=1S/C26H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21-29-24(27)26(3,4)25(28)30-23-19-17-22(2)18-20-23/h22-23H,5-21H2,1-4H3
InChIKey DDJGAQIGSPJABS-UHFFFAOYSA-N
Mol Weight 424.7 g/mol
Molecular Formula C26H48O4
Exact Mass 424.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FH0ka9jiFqu
Name Dimethylmalonic acid, cis-4-methylcyclohexyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.355260022 u
Formula C26H48O4
InChI InChI=1S/C26H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21-29-24(27)26(3,4)25(28)30-23-19-17-22(2)18-20-23/h22-23H,5-21H2,1-4H3
InChIKey DDJGAQIGSPJABS-UHFFFAOYSA-N
Molecular Weight 424.666 g/mol
SMILES C1C(CCC(C1)OC(C(C(OCCCCCCCCCCCCCC)=O)(C)C)=O)C