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Dimethylmalonic acid, decyl 2,5-dichlorophenyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, decyl 2,5-dichlorophenyl ester
SpectraBase Compound ID CXuhB5fPV0I
InChI InChI=1S/C21H30Cl2O4/c1-4-5-6-7-8-9-10-11-14-26-19(24)21(2,3)20(25)27-18-15-16(22)12-13-17(18)23/h12-13,15H,4-11,14H2,1-3H3
InChIKey IJNHEFHRKZQBDK-UHFFFAOYSA-N
Mol Weight 417.37 g/mol
Molecular Formula C21H30Cl2O4
Exact Mass 416.152115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5vJp3h5szMV
Name Dimethylmalonic acid, decyl 2,5-dichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.152114842 u
Formula C21H30Cl2O4
InChI InChI=1S/C21H30Cl2O4/c1-4-5-6-7-8-9-10-11-14-26-19(24)21(2,3)20(25)27-18-15-16(22)12-13-17(18)23/h12-13,15H,4-11,14H2,1-3H3
InChIKey IJNHEFHRKZQBDK-UHFFFAOYSA-N
Molecular Weight 417.373 g/mol
SMILES C1=CC(=CC(=C1Cl)OC(C(C(OCCCCCCCCCC)=O)(C)C)=O)Cl