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

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Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl octadecyl ester
SpectraBase Compound ID 5z2yL5KsArE
InChI InChI=1S/C29H49F7O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-39-24(37)26(5-2,6-3)25(38)40-23-27(30,31)28(32,33)29(34,35)36/h4-23H2,1-3H3
InChIKey ONVSTCBOQNRXCW-UHFFFAOYSA-N
Mol Weight 594.7 g/mol
Molecular Formula C29H49F7O4
Exact Mass 594.351907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8wt6zHjumt9
Name Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 594.351907195 u
Formula C29H49F7O4
InChI InChI=1S/C29H49F7O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-39-24(37)26(5-2,6-3)25(38)40-23-27(30,31)28(32,33)29(34,35)36/h4-23H2,1-3H3
InChIKey ONVSTCBOQNRXCW-UHFFFAOYSA-N
Molecular Weight 594.696 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCCCC)=O)(C(OCC(C(C(F)(F)F)(F)F)(F)F)=O)CC