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

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Diethylmalonic acid, dodecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 8rqGd3U85a4
InChI InChI=1S/C24H38F8O4/c1-4-7-8-9-10-11-12-13-14-15-16-35-19(33)21(5-2,6-3)20(34)36-17-22(27,28)24(31,32)23(29,30)18(25)26/h18H,4-17H2,1-3H3
InChIKey ONKMLEDLJGXDMA-UHFFFAOYSA-N
Mol Weight 542.6 g/mol
Molecular Formula C24H38F8O4
Exact Mass 542.264235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BlMaC2vtpAr
Name Diethylmalonic acid, dodecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 542.264235004 u
Formula C24H38F8O4
InChI InChI=1S/C24H38F8O4/c1-4-7-8-9-10-11-12-13-14-15-16-35-19(33)21(5-2,6-3)20(34)36-17-22(27,28)24(31,32)23(29,30)18(25)26/h18H,4-17H2,1-3H3
InChIKey ONKMLEDLJGXDMA-UHFFFAOYSA-N
Molecular Weight 542.551 g/mol
SMILES C(C(C(OCCCCCCCCCCCC)=O)(CC)CC)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O