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

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Diethylmalonic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tridecyl ester
SpectraBase Compound ID 5iHsw5eeXq3
InChI InChI=1S/C25H40F8O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-36-20(34)22(5-2,6-3)21(35)37-18-23(28,29)25(32,33)24(30,31)19(26)27/h19H,4-18H2,1-3H3
InChIKey YRGLHLJSTSMQQS-UHFFFAOYSA-N
Mol Weight 556.6 g/mol
Molecular Formula C25H40F8O4
Exact Mass 556.279885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GOt458Li777
Name Diethylmalonic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 556.279885068 u
Formula C25H40F8O4
InChI InChI=1S/C25H40F8O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-36-20(34)22(5-2,6-3)21(35)37-18-23(28,29)25(32,33)24(30,31)19(26)27/h19H,4-18H2,1-3H3
InChIKey YRGLHLJSTSMQQS-UHFFFAOYSA-N
Molecular Weight 556.578 g/mol
SMILES C(C(C(OCCCCCCCCCCCCC)=O)(CC)CC)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O