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Dimethylmalonic acid, cis-4-methylcyclohexyl tridecyl ester

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Dimethylmalonic acid, cis-4-methylcyclohexyl tridecyl ester
SpectraBase Compound ID EymH99meEW7
InChI InChI=1S/C25H46O4/c1-5-6-7-8-9-10-11-12-13-14-15-20-28-23(26)25(3,4)24(27)29-22-18-16-21(2)17-19-22/h21-22H,5-20H2,1-4H3
InChIKey PWQUAZPRRYIBNE-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C25H46O4
Exact Mass 410.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zYEORNsmYq
Name Dimethylmalonic acid, cis-4-methylcyclohexyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.339609957 u
Formula C25H46O4
InChI InChI=1S/C25H46O4/c1-5-6-7-8-9-10-11-12-13-14-15-20-28-23(26)25(3,4)24(27)29-22-18-16-21(2)17-19-22/h21-22H,5-20H2,1-4H3
InChIKey PWQUAZPRRYIBNE-UHFFFAOYSA-N
Molecular Weight 410.639 g/mol
SMILES C1C(CCC(C1)OC(C(C(OCCCCCCCCCCCCC)=O)(C)C)=O)C