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

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Diethylmalonic acid, octyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 61FR4RofwQD
InChI InChI=1S/C20H30F8O4/c1-4-7-8-9-10-11-12-31-15(29)17(5-2,6-3)16(30)32-13-18(23,24)20(27,28)19(25,26)14(21)22/h14H,4-13H2,1-3H3
InChIKey AIFCCBPVAVCKCN-UHFFFAOYSA-N
Mol Weight 486.44 g/mol
Molecular Formula C20H30F8O4
Exact Mass 486.201635 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6xV2ojTM5B9
Name Diethylmalonic acid, octyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 486.201634746 u
Formula C20H30F8O4
InChI InChI=1S/C20H30F8O4/c1-4-7-8-9-10-11-12-31-15(29)17(5-2,6-3)16(30)32-13-18(23,24)20(27,28)19(25,26)14(21)22/h14H,4-13H2,1-3H3
InChIKey AIFCCBPVAVCKCN-UHFFFAOYSA-N
Molecular Weight 486.443 g/mol
SMILES C(C(C(OCCCCCCCC)=O)(CC)CC)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O