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Diethylmalonic acid, 2,6-dichlorophenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,6-dichlorophenyl tetradecyl ester
SpectraBase Compound ID 6cuYegpl9Qo
InChI InChI=1S/C27H42Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-32-25(30)27(5-2,6-3)26(31)33-24-22(28)19-18-20-23(24)29/h18-20H,4-17,21H2,1-3H3
InChIKey YCYKMPCXDQGNCH-UHFFFAOYSA-N
Mol Weight 501.5 g/mol
Molecular Formula C27H42Cl2O4
Exact Mass 500.246015 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HiCOgYlM8dM
Name Diethylmalonic acid, 2,6-dichlorophenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 500.246015228 u
Formula C27H42Cl2O4
InChI InChI=1S/C27H42Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-32-25(30)27(5-2,6-3)26(31)33-24-22(28)19-18-20-23(24)29/h18-20H,4-17,21H2,1-3H3
InChIKey YCYKMPCXDQGNCH-UHFFFAOYSA-N
Molecular Weight 501.535 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1Cl)Cl)=O)CC