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Diethylmalonic acid, dipentafluorophenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, dipentafluorophenyl ester
SpectraBase Compound ID AmzhzI1dygD
InChI InChI=1S/C19H10F10O4/c1-3-19(4-2,17(30)32-15-11(26)7(22)5(20)8(23)12(15)27)18(31)33-16-13(28)9(24)6(21)10(25)14(16)29/h3-4H2,1-2H3
InChIKey IFIFPJPMGPOFLS-UHFFFAOYSA-N
Mol Weight 492.27 g/mol
Molecular Formula C19H10F10O4
Exact Mass 492.04194 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Q6ticuOXy4
Name Diethylmalonic acid, dipentafluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 492.041940428 u
Formula C19H10F10O4
InChI InChI=1S/C19H10F10O4/c1-3-19(4-2,17(30)32-15-11(26)7(22)5(20)8(23)12(15)27)18(31)33-16-13(28)9(24)6(21)10(25)14(16)29/h3-4H2,1-2H3
InChIKey IFIFPJPMGPOFLS-UHFFFAOYSA-N
Molecular Weight 492.269 g/mol
SMILES CCC(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC