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

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Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl tetradecyl ester
SpectraBase Compound ID 9Jn4xw4AojO
InChI InChI=1S/C25H41F7O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-35-20(33)22(5-2,6-3)21(34)36-19-23(26,27)24(28,29)25(30,31)32/h4-19H2,1-3H3
InChIKey FXJKTIMAWRGRBA-UHFFFAOYSA-N
Mol Weight 538.6 g/mol
Molecular Formula C25H41F7O4
Exact Mass 538.289307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Zvjc6qrPDb
Name Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 538.289306937 u
Formula C25H41F7O4
InChI InChI=1S/C25H41F7O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-35-20(33)22(5-2,6-3)21(34)36-19-23(26,27)24(28,29)25(30,31)32/h4-19H2,1-3H3
InChIKey FXJKTIMAWRGRBA-UHFFFAOYSA-N
Molecular Weight 538.588 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCC)=O)(C(OCC(C(C(F)(F)F)(F)F)(F)F)=O)CC