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Diethylmalonic acid, 4-chlorobenzyl nonyl ester

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Diethylmalonic acid, 4-chlorobenzyl nonyl ester
SpectraBase Compound ID BOqLrPWQZtC
InChI InChI=1S/C23H35ClO4/c1-4-7-8-9-10-11-12-17-27-21(25)23(5-2,6-3)22(26)28-18-19-13-15-20(24)16-14-19/h13-16H,4-12,17-18H2,1-3H3
InChIKey UWIMXZHKZXJGFW-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 4RJCDIBDBdf
Name Diethylmalonic acid, 4-chlorobenzyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.222387303 u
Formula C23H35ClO4
InChI InChI=1S/C23H35ClO4/c1-4-7-8-9-10-11-12-17-27-21(25)23(5-2,6-3)22(26)28-18-19-13-15-20(24)16-14-19/h13-16H,4-12,17-18H2,1-3H3
InChIKey UWIMXZHKZXJGFW-UHFFFAOYSA-N
Molecular Weight 410.982 g/mol
SMILES CCC(C(OCCCCCCCCC)=O)(C(OCC1=CC=C(C=C1)Cl)=O)CC