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

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Diethylmalonic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentadecyl ester
SpectraBase Compound ID 6NtwA7NymgL
InChI InChI=1S/C27H44F8O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-38-22(36)24(5-2,6-3)23(37)39-20-25(30,31)27(34,35)26(32,33)21(28)29/h21H,4-20H2,1-3H3
InChIKey UVWLCYJQDOYLHS-UHFFFAOYSA-N
Mol Weight 584.6 g/mol
Molecular Formula C27H44F8O4
Exact Mass 584.311185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GewIMHuDsyj
Name Diethylmalonic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 584.311185197 u
Formula C27H44F8O4
InChI InChI=1S/C27H44F8O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-38-22(36)24(5-2,6-3)23(37)39-20-25(30,31)27(34,35)26(32,33)21(28)29/h21H,4-20H2,1-3H3
InChIKey UVWLCYJQDOYLHS-UHFFFAOYSA-N
Molecular Weight 584.632 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCCC)=O)(CC)CC)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O