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Diethylmalonic acid, 2,4-dichlorophenyl tridecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,4-dichlorophenyl tridecyl ester
SpectraBase Compound ID FLetjBBpPe6
InChI InChI=1S/C26H40Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-19-31-24(29)26(5-2,6-3)25(30)32-23-18-17-21(27)20-22(23)28/h17-18,20H,4-16,19H2,1-3H3
InChIKey XTSFSVMIPWNFKR-UHFFFAOYSA-N
Mol Weight 487.5 g/mol
Molecular Formula C26H40Cl2O4
Exact Mass 486.230365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eb5y5ZT2vSk
Name Diethylmalonic acid, 2,4-dichlorophenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 486.230365164 u
Formula C26H40Cl2O4
InChI InChI=1S/C26H40Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-19-31-24(29)26(5-2,6-3)25(30)32-23-18-17-21(27)20-22(23)28/h17-18,20H,4-16,19H2,1-3H3
InChIKey XTSFSVMIPWNFKR-UHFFFAOYSA-N
Molecular Weight 487.508 g/mol
SMILES CCC(C(OCCCCCCCCCCCCC)=O)(C(OC1=C(C=C(C=C1)Cl)Cl)=O)CC