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Dimethylmalonic acid, cis-4-methylcyclohexyl pentadecyl ester

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Dimethylmalonic acid, cis-4-methylcyclohexyl pentadecyl ester
SpectraBase Compound ID 6RC41MNDchV
InChI InChI=1S/C27H50O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-25(28)27(3,4)26(29)31-24-20-18-23(2)19-21-24/h23-24H,5-22H2,1-4H3
InChIKey WWAIVOXWWCNTJR-UHFFFAOYSA-N
Mol Weight 438.7 g/mol
Molecular Formula C27H50O4
Exact Mass 438.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 35WRcpPAvFr
Name Dimethylmalonic acid, cis-4-methylcyclohexyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.370910086 u
Formula C27H50O4
InChI InChI=1S/C27H50O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-25(28)27(3,4)26(29)31-24-20-18-23(2)19-21-24/h23-24H,5-22H2,1-4H3
InChIKey WWAIVOXWWCNTJR-UHFFFAOYSA-N
Molecular Weight 438.693 g/mol
SMILES C1C(CCC(C1)OC(C(C(OCCCCCCCCCCCCCCC)=O)(C)C)=O)C