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Diethylmalonic acid, 2,3-dichlorophenyl tridecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,3-dichlorophenyl tridecyl ester
SpectraBase Compound ID D7C6hU7KTou
InChI InChI=1S/C26H40Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-20-31-24(29)26(5-2,6-3)25(30)32-22-19-17-18-21(27)23(22)28/h17-19H,4-16,20H2,1-3H3
InChIKey CIFKZBWIZCZYSB-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 4F8QqGiSj6o
Name Diethylmalonic acid, 2,3-dichlorophenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 486.230365164 u
Formula C26H40Cl2O4
InChI InChI=1S/C26H40Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-20-31-24(29)26(5-2,6-3)25(30)32-22-19-17-18-21(27)23(22)28/h17-19H,4-16,20H2,1-3H3
InChIKey CIFKZBWIZCZYSB-UHFFFAOYSA-N
Molecular Weight 487.508 g/mol
SMILES CCC(C(OCCCCCCCCCCCCC)=O)(C(OC1=C(C(=CC=C1)Cl)Cl)=O)CC