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Diethylmalonic acid, 3-methylpentyl tetradecyl ester

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Diethylmalonic acid, 3-methylpentyl tetradecyl ester
SpectraBase Compound ID IGKRraSXeai
InChI InChI=1S/C27H52O4/c1-6-10-11-12-13-14-15-16-17-18-19-20-22-30-25(28)27(8-3,9-4)26(29)31-23-21-24(5)7-2/h24H,6-23H2,1-5H3
InChIKey MPFCBBQBPRLRCF-UHFFFAOYSA-N
Mol Weight 440.7 g/mol
Molecular Formula C27H52O4
Exact Mass 440.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JaL6pih1KUG
Name Diethylmalonic acid, 3-methylpentyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.386560150 u
Formula C27H52O4
InChI InChI=1S/C27H52O4/c1-6-10-11-12-13-14-15-16-17-18-19-20-22-30-25(28)27(8-3,9-4)26(29)31-23-21-24(5)7-2/h24H,6-23H2,1-5H3
InChIKey MPFCBBQBPRLRCF-UHFFFAOYSA-N
Molecular Weight 440.709 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCC)=O)(CC)CC)(OCCC(CC)C)=O