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Diethylmalonic acid, 2,3-dichlorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,3-dichlorophenyl undecyl ester
SpectraBase Compound ID EXjm8O7oI1l
InChI InChI=1S/C24H36Cl2O4/c1-4-7-8-9-10-11-12-13-14-18-29-22(27)24(5-2,6-3)23(28)30-20-17-15-16-19(25)21(20)26/h15-17H,4-14,18H2,1-3H3
InChIKey BZWAGFBDASLUBF-UHFFFAOYSA-N
Mol Weight 459.5 g/mol
Molecular Formula C24H36Cl2O4
Exact Mass 458.199065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gt5TB1itvbG
Name Diethylmalonic acid, 2,3-dichlorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 458.199065035 u
Formula C24H36Cl2O4
InChI InChI=1S/C24H36Cl2O4/c1-4-7-8-9-10-11-12-13-14-18-29-22(27)24(5-2,6-3)23(28)30-20-17-15-16-19(25)21(20)26/h15-17H,4-14,18H2,1-3H3
InChIKey BZWAGFBDASLUBF-UHFFFAOYSA-N
Molecular Weight 459.454 g/mol
SMILES CCC(C(OCCCCCCCCCCC)=O)(C(OC1=C(C(=CC=C1)Cl)Cl)=O)CC