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Diethylmalonic acid, 2,6-dichlorophenyl dodecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,6-dichlorophenyl dodecyl ester
SpectraBase Compound ID 7NfG5nOu31c
InChI InChI=1S/C25H38Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-19-30-23(28)25(5-2,6-3)24(29)31-22-20(26)17-16-18-21(22)27/h16-18H,4-15,19H2,1-3H3
InChIKey WWSFNKSBUYRFLQ-UHFFFAOYSA-N
Mol Weight 473.5 g/mol
Molecular Formula C25H38Cl2O4
Exact Mass 472.214715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4T1lF0BNHvp
Name Diethylmalonic acid, 2,6-dichlorophenyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 472.214715100 u
Formula C25H38Cl2O4
InChI InChI=1S/C25H38Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-19-30-23(28)25(5-2,6-3)24(29)31-22-20(26)17-16-18-21(22)27/h16-18H,4-15,19H2,1-3H3
InChIKey WWSFNKSBUYRFLQ-UHFFFAOYSA-N
Molecular Weight 473.481 g/mol
SMILES CCC(C(OCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1Cl)Cl)=O)CC