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Diethylmalonic acid, 2,6-dichlorophenyl hexadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,6-dichlorophenyl hexadecyl ester
SpectraBase Compound ID KCD4CWpoB8a
InChI InChI=1S/C29H46Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-34-27(32)29(5-2,6-3)28(33)35-26-24(30)21-20-22-25(26)31/h20-22H,4-19,23H2,1-3H3
InChIKey AHQKHIFNJHYOLU-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 4XyV4BdU5aH
Name Diethylmalonic acid, 2,6-dichlorophenyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 528.277315357 u
Formula C29H46Cl2O4
InChI InChI=1S/C29H46Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-34-27(32)29(5-2,6-3)28(33)35-26-24(30)21-20-22-25(26)31/h20-22H,4-19,23H2,1-3H3
InChIKey AHQKHIFNJHYOLU-UHFFFAOYSA-N
Molecular Weight 529.589 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1Cl)Cl)=O)CC