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Diethylmalonic acid, 2,4-dichlorophenyl hexadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,4-dichlorophenyl hexadecyl ester
SpectraBase Compound ID 3S267yooTYV
InChI InChI=1S/C29H46Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34-27(32)29(5-2,6-3)28(33)35-26-21-20-24(30)23-25(26)31/h20-21,23H,4-19,22H2,1-3H3
InChIKey UHWJKXGIULJGHN-UHFFFAOYSA-N
Mol Weight 529.6 g/mol
Molecular Formula C29H46Cl2O4
Exact Mass 528.277315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GLc8Bk29zff
Name Diethylmalonic acid, 2,4-dichlorophenyl hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 528.277315357 u
Formula C29H46Cl2O4
InChI InChI=1S/C29H46Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34-27(32)29(5-2,6-3)28(33)35-26-21-20-24(30)23-25(26)31/h20-21,23H,4-19,22H2,1-3H3
InChIKey UHWJKXGIULJGHN-UHFFFAOYSA-N
Molecular Weight 529.589 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=C(C=C1)Cl)Cl)=O)CC