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Dimethylmalonic acid, cis-4-methylcyclohexyl hexadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Dimethylmalonic acid, cis-4-methylcyclohexyl hexadecyl ester
SpectraBase Compound ID 8HfS87TsNen
InChI InChI=1S/C28H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-31-26(29)28(3,4)27(30)32-25-21-19-24(2)20-22-25/h24-25H,5-23H2,1-4H3
InChIKey FDWGPPHFZKPNCA-UHFFFAOYSA-N
Mol Weight 452.7 g/mol
Molecular Formula C28H52O4
Exact Mass 452.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 33AmPHVtuaP
Name Dimethylmalonic acid, cis-4-methylcyclohexyl hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.386560150 u
Formula C28H52O4
InChI InChI=1S/C28H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-31-26(29)28(3,4)27(30)32-25-21-19-24(2)20-22-25/h24-25H,5-23H2,1-4H3
InChIKey FDWGPPHFZKPNCA-UHFFFAOYSA-N
Molecular Weight 452.720 g/mol
SMILES C1C(CCC(C1)OC(C(C(OCCCCCCCCCCCCCCCC)=O)(C)C)=O)C