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

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Diethylmalonic acid, decyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID FkWD03Wkpl6
InChI InChI=1S/C22H34F8O4/c1-4-7-8-9-10-11-12-13-14-33-17(31)19(5-2,6-3)18(32)34-15-20(25,26)22(29,30)21(27,28)16(23)24/h16H,4-15H2,1-3H3
InChIKey QTNRKYAEISPAHE-UHFFFAOYSA-N
Mol Weight 514.5 g/mol
Molecular Formula C22H34F8O4
Exact Mass 514.232935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5K2IQ39ajun
Name Diethylmalonic acid, decyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 514.232934875 u
Formula C22H34F8O4
InChI InChI=1S/C22H34F8O4/c1-4-7-8-9-10-11-12-13-14-33-17(31)19(5-2,6-3)18(32)34-15-20(25,26)22(29,30)21(27,28)16(23)24/h16H,4-15H2,1-3H3
InChIKey QTNRKYAEISPAHE-UHFFFAOYSA-N
Molecular Weight 514.497 g/mol
SMILES C(C(C(OCCCCCCCCCC)=O)(CC)CC)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O