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

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Diethylmalonic acid, hexyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID KK31U0hug8J
InChI InChI=1S/C18H26F8O4/c1-4-7-8-9-10-29-13(27)15(5-2,6-3)14(28)30-11-16(21,22)18(25,26)17(23,24)12(19)20/h12H,4-11H2,1-3H3
InChIKey QJZLXYBPDZMJBW-UHFFFAOYSA-N
Mol Weight 458.39 g/mol
Molecular Formula C18H26F8O4
Exact Mass 458.170335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3QeeW81YlH2
Name Diethylmalonic acid, hexyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 458.170334617 u
Formula C18H26F8O4
InChI InChI=1S/C18H26F8O4/c1-4-7-8-9-10-29-13(27)15(5-2,6-3)14(28)30-11-16(21,22)18(25,26)17(23,24)12(19)20/h12H,4-11H2,1-3H3
InChIKey QJZLXYBPDZMJBW-UHFFFAOYSA-N
Molecular Weight 458.389 g/mol
SMILES C(C(C(OCCCCCC)=O)(CC)CC)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O