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Fumaric acid, 4-octyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

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Fumaric acid, 4-octyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID HuCVONOApmS
InChI InChI=1S/C17H22F8O4/c1-3-5-7-11(6-4-2)29-13(27)9-8-12(26)28-10-15(20,21)17(24,25)16(22,23)14(18)19/h8-9,11,14H,3-7,10H2,1-2H3/b9-8+
InChIKey HEOGZYCPKMKLOT-CMDGGOBGSA-N
Mol Weight 442.35 g/mol
Molecular Formula C17H22F8O4
Exact Mass 442.139034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FcLKismaOjn
Name Fumaric acid, 4-octyl 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 442.139034488 u
Formula C17H22F8O4
InChI InChI=1S/C17H22F8O4/c1-3-5-7-11(6-4-2)29-13(27)9-8-12(26)28-10-15(20,21)17(24,25)16(22,23)14(18)19/h8-9,11,14H,3-7,10H2,1-2H3/b9-8+
InChIKey HEOGZYCPKMKLOT-CMDGGOBGSA-N
Molecular Weight 442.346 g/mol
SMILES C(\C=C\C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)(OC(CCCC)CCC)=O