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

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Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentyl ester
SpectraBase Compound ID 4FEeHej955m
InChI InChI=1S/C16H23F7O4/c1-4-7-8-9-26-11(24)13(5-2,6-3)12(25)27-10-14(17,18)15(19,20)16(21,22)23/h4-10H2,1-3H3
InChIKey YZGBCYPTABMUCY-UHFFFAOYSA-N
Mol Weight 412.34 g/mol
Molecular Formula C16H23F7O4
Exact Mass 412.148456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FBQCz6ii7ML
Name Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.148456358 u
Formula C16H23F7O4
InChI InChI=1S/C16H23F7O4/c1-4-7-8-9-26-11(24)13(5-2,6-3)12(25)27-10-14(17,18)15(19,20)16(21,22)23/h4-10H2,1-3H3
InChIKey YZGBCYPTABMUCY-UHFFFAOYSA-N
Molecular Weight 412.345 g/mol
SMILES CCC(C(OCCCCC)=O)(C(OCC(C(C(F)(F)F)(F)F)(F)F)=O)CC