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Diethylmalonic acid, 2,2,3,4,4,4-hexafluorobutyl tetradecyl ester

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Diethylmalonic acid, 2,2,3,4,4,4-hexafluorobutyl tetradecyl ester
SpectraBase Compound ID 1ppYeRWRyJ4
InChI InChI=1S/C25H42F6O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-34-21(32)23(5-2,6-3)22(33)35-19-24(27,28)20(26)25(29,30)31/h20H,4-19H2,1-3H3/t20-/m0/s1
InChIKey NSIMKYDRPMULSW-FQEVSTJZSA-N
Mol Weight 520.6 g/mol
Molecular Formula C25H42F6O4
Exact Mass 520.298729 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 131GWBBADUh
Name Diethylmalonic acid, 2,2,3,4,4,4-hexafluorobutyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 520.298728806 u
Formula C25H42F6O4
InChI InChI=1S/C25H42F6O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-34-21(32)23(5-2,6-3)22(33)35-19-24(27,28)20(26)25(29,30)31/h20H,4-19H2,1-3H3/t20-/m0/s1
InChIKey NSIMKYDRPMULSW-FQEVSTJZSA-N
Molecular Weight 520.597 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCC)=O)(CC)CC)(OCC([C@@](C(F)(F)F)(F)[H])(F)F)=O