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Diethylmalonic acid, decyl 2,4,5-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, decyl 2,4,5-trichlorophenyl ester
SpectraBase Compound ID LMHzrjBNgaq
InChI InChI=1S/C23H33Cl3O4/c1-4-7-8-9-10-11-12-13-14-29-21(27)23(5-2,6-3)22(28)30-20-16-18(25)17(24)15-19(20)26/h15-16H,4-14H2,1-3H3
InChIKey MWEQFEQOACXRTK-UHFFFAOYSA-N
Mol Weight 479.9 g/mol
Molecular Formula C23H33Cl3O4
Exact Mass 478.144443 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EVgfftT3nxY
Name Diethylmalonic acid, decyl 2,4,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 478.144442639 u
Formula C23H33Cl3O4
InChI InChI=1S/C23H33Cl3O4/c1-4-7-8-9-10-11-12-13-14-29-21(27)23(5-2,6-3)22(28)30-20-16-18(25)17(24)15-19(20)26/h15-16H,4-14H2,1-3H3
InChIKey MWEQFEQOACXRTK-UHFFFAOYSA-N
Molecular Weight 479.872 g/mol
SMILES CCC(C(OCCCCCCCCCC)=O)(C(OC1=C(C=C(C(=C1)Cl)Cl)Cl)=O)CC