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Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl nonyl ester

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Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl nonyl ester
SpectraBase Compound ID 2UZjHhldso0
InChI InChI=1S/C20H31F7O4/c1-4-7-8-9-10-11-12-13-30-15(28)17(5-2,6-3)16(29)31-14-18(21,22)19(23,24)20(25,26)27/h4-14H2,1-3H3
InChIKey FLQJOVAAKXGLPP-UHFFFAOYSA-N
Mol Weight 468.45 g/mol
Molecular Formula C20H31F7O4
Exact Mass 468.211057 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BRKc2SnNwOc
Name Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 468.211056615 u
Formula C20H31F7O4
InChI InChI=1S/C20H31F7O4/c1-4-7-8-9-10-11-12-13-30-15(28)17(5-2,6-3)16(29)31-14-18(21,22)19(23,24)20(25,26)27/h4-14H2,1-3H3
InChIKey FLQJOVAAKXGLPP-UHFFFAOYSA-N
Molecular Weight 468.453 g/mol
SMILES CCC(C(OCCCCCCCCC)=O)(C(OCC(C(C(F)(F)F)(F)F)(F)F)=O)CC