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

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Fumaric acid, isohexyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID L1L7xrfubQR
InChI InChI=1S/C15H18F8O4/c1-9(2)4-3-7-26-10(24)5-6-11(25)27-8-13(18,19)15(22,23)14(20,21)12(16)17/h5-6,9,12H,3-4,7-8H2,1-2H3/b6-5+
InChIKey JADRWXAMLNKKKK-AATRIKPKSA-N
Mol Weight 414.29 g/mol
Molecular Formula C15H18F8O4
Exact Mass 414.107734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7jLRqvnr1Vk
Name Fumaric acid, isohexyl 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 414.107734360 u
Formula C15H18F8O4
InChI InChI=1S/C15H18F8O4/c1-9(2)4-3-7-26-10(24)5-6-11(25)27-8-13(18,19)15(22,23)14(20,21)12(16)17/h5-6,9,12H,3-4,7-8H2,1-2H3/b6-5+
InChIKey JADRWXAMLNKKKK-AATRIKPKSA-N
Molecular Weight 414.292 g/mol
SMILES C(\C=C\C(OCCCC(C)C)=O)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O