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Diethylmalonic acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

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Diethylmalonic acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 4tN4jDVDr70
InChI InChI=1S/C21H32F8O4/c1-4-7-8-9-10-11-12-13-32-16(30)18(5-2,6-3)17(31)33-14-19(24,25)21(28,29)20(26,27)15(22)23/h15H,4-14H2,1-3H3
InChIKey PJRBAMSXPWRUEJ-UHFFFAOYSA-N
Mol Weight 500.5 g/mol
Molecular Formula C21H32F8O4
Exact Mass 500.217285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3rRLujBSDwL
Name Diethylmalonic acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 500.217284810 u
Formula C21H32F8O4
InChI InChI=1S/C21H32F8O4/c1-4-7-8-9-10-11-12-13-32-16(30)18(5-2,6-3)17(31)33-14-19(24,25)21(28,29)20(26,27)15(22)23/h15H,4-14H2,1-3H3
InChIKey PJRBAMSXPWRUEJ-UHFFFAOYSA-N
Molecular Weight 500.470 g/mol
SMILES C(C(C(OCCCCCCCCC)=O)(CC)CC)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O