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Diethylmalonic acid, 4-chloro-2-methylphenyl nonyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-chloro-2-methylphenyl nonyl ester
SpectraBase Compound ID KwZEZ5BdKCI
InChI InChI=1S/C23H35ClO4/c1-5-8-9-10-11-12-13-16-27-21(25)23(6-2,7-3)22(26)28-20-15-14-19(24)17-18(20)4/h14-15,17H,5-13,16H2,1-4H3
InChIKey GYLJVIKZWOIIQI-UHFFFAOYSA-N
Mol Weight 411.0 g/mol
Molecular Formula C23H35ClO4
Exact Mass 410.222387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4TunbNJHFZ5
Name Diethylmalonic acid, 4-chloro-2-methylphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.222387303 u
Formula C23H35ClO4
InChI InChI=1S/C23H35ClO4/c1-5-8-9-10-11-12-13-16-27-21(25)23(6-2,7-3)22(26)28-20-15-14-19(24)17-18(20)4/h14-15,17H,5-13,16H2,1-4H3
InChIKey GYLJVIKZWOIIQI-UHFFFAOYSA-N
Molecular Weight 410.982 g/mol
SMILES CCC(C(OCCCCCCCCC)=O)(C(OC1=C(C=C(C=C1)Cl)C)=O)CC