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

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Diethylmalonic acid, 2,2,3,3,4,4,5,5-octafluoropentyl undecyl ester
SpectraBase Compound ID ExafXB0Mchc
InChI InChI=1S/C23H36F8O4/c1-4-7-8-9-10-11-12-13-14-15-34-18(32)20(5-2,6-3)19(33)35-16-21(26,27)23(30,31)22(28,29)17(24)25/h17H,4-16H2,1-3H3
InChIKey JYAWMCDGWLDNFK-UHFFFAOYSA-N
Mol Weight 528.5 g/mol
Molecular Formula C23H36F8O4
Exact Mass 528.248585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CcZXU2PFcN3
Name Diethylmalonic acid, 2,2,3,3,4,4,5,5-octafluoropentyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 528.248584939 u
Formula C23H36F8O4
InChI InChI=1S/C23H36F8O4/c1-4-7-8-9-10-11-12-13-14-15-34-18(32)20(5-2,6-3)19(33)35-16-21(26,27)23(30,31)22(28,29)17(24)25/h17H,4-16H2,1-3H3
InChIKey JYAWMCDGWLDNFK-UHFFFAOYSA-N
Molecular Weight 528.524 g/mol
SMILES C(C(C(OCCCCCCCCCCC)=O)(CC)CC)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O