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Diethylmalonic acid, dipentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, dipentafluorobenzyl ester
SpectraBase Compound ID GqzqoK1b3Le
InChI InChI=1S/C21H14F10O4/c1-3-21(4-2,19(32)34-5-7-9(22)13(26)17(30)14(27)10(7)23)20(33)35-6-8-11(24)15(28)18(31)16(29)12(8)25/h3-6H2,1-2H3
InChIKey AXWJURRSJIOQFZ-UHFFFAOYSA-N
Mol Weight 520.32 g/mol
Molecular Formula C21H14F10O4
Exact Mass 520.073241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5qXLqT9j5dr
Name Diethylmalonic acid, dipentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 520.073240557 u
Formula C21H14F10O4
InChI InChI=1S/C21H14F10O4/c1-3-21(4-2,19(32)34-5-7-9(22)13(26)17(30)14(27)10(7)23)20(33)35-6-8-11(24)15(28)18(31)16(29)12(8)25/h3-6H2,1-2H3
InChIKey AXWJURRSJIOQFZ-UHFFFAOYSA-N
Molecular Weight 520.323 g/mol
SMILES CCC(C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)(C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC