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Diethylmalonic acid, decyl 3-methylbenzyl ester

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Diethylmalonic acid, decyl 3-methylbenzyl ester
SpectraBase Compound ID DuLYAVFIlML
InChI InChI=1S/C25H40O4/c1-5-8-9-10-11-12-13-14-18-28-23(26)25(6-2,7-3)24(27)29-20-22-17-15-16-21(4)19-22/h15-17,19H,5-14,18,20H2,1-4H3
InChIKey YUUMSYLWKIBWBV-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 2wa5XrKt9dA
Name Diethylmalonic acid, decyl 3-methylbenzyl 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/c1-5-8-9-10-11-12-13-14-18-28-23(26)25(6-2,7-3)24(27)29-20-22-17-15-16-21(4)19-22/h15-17,19H,5-14,18,20H2,1-4H3
InChIKey YUUMSYLWKIBWBV-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES CCC(C(OCCCCCCCCCC)=O)(C(OCC1=CC(=CC=C1)C)=O)CC