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Diethylmalonic acid, decyl 2,3-dimethylphenyl ester

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Diethylmalonic acid, decyl 2,3-dimethylphenyl ester
SpectraBase Compound ID 9vQ6Jzacgl5
InChI InChI=1S/C25H40O4/c1-6-9-10-11-12-13-14-15-19-28-23(26)25(7-2,8-3)24(27)29-22-18-16-17-20(4)21(22)5/h16-18H,6-15,19H2,1-5H3
InChIKey AXCWBBCHOCIEPI-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7TqdH3sb0N3
Name Diethylmalonic acid, decyl 2,3-dimethylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-6-9-10-11-12-13-14-15-19-28-23(26)25(7-2,8-3)24(27)29-22-18-16-17-20(4)21(22)5/h16-18H,6-15,19H2,1-5H3
InChIKey AXCWBBCHOCIEPI-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES CCC(C(OCCCCCCCCCC)=O)(C(OC1=C(C(=CC=C1)C)C)=O)CC