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

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Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl octyl ester
SpectraBase Compound ID CGgVpJqC1xR
InChI InChI=1S/C17H22F8O4/c1-2-3-4-5-6-7-10-28-12(26)8-9-13(27)29-11-15(20,21)17(24,25)16(22,23)14(18)19/h8-9,14H,2-7,10-11H2,1H3/b9-8+
InChIKey ZFHSDWFPYFFSQU-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 H0EsjNWhMKE
Name Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl octyl 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/c1-2-3-4-5-6-7-10-28-12(26)8-9-13(27)29-11-15(20,21)17(24,25)16(22,23)14(18)19/h8-9,14H,2-7,10-11H2,1H3/b9-8+
InChIKey ZFHSDWFPYFFSQU-CMDGGOBGSA-N
Molecular Weight 442.346 g/mol
SMILES C(\C=C\C(OCCCCCCCC)=O)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O