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Diethylmalonic acid, 2,6-dichlorophenyl heptadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,6-dichlorophenyl heptadecyl ester
SpectraBase Compound ID ivQbS9b0XO
InChI InChI=1S/C30H48Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-35-28(33)30(5-2,6-3)29(34)36-27-25(31)22-21-23-26(27)32/h21-23H,4-20,24H2,1-3H3
InChIKey HHVHCEWKCKXVMH-UHFFFAOYSA-N
Mol Weight 543.6 g/mol
Molecular Formula C30H48Cl2O4
Exact Mass 542.292965 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LgHmbesE093
Name Diethylmalonic acid, 2,6-dichlorophenyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 542.292965422 u
Formula C30H48Cl2O4
InChI InChI=1S/C30H48Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-35-28(33)30(5-2,6-3)29(34)36-27-25(31)22-21-23-26(27)32/h21-23H,4-20,24H2,1-3H3
InChIKey HHVHCEWKCKXVMH-UHFFFAOYSA-N
Molecular Weight 543.616 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1Cl)Cl)=O)CC