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

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Fumaric acid, 3-chlorophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID EYfoqoOIpSH
InChI InChI=1S/C15H9ClF8O4/c16-8-2-1-3-9(6-8)28-11(26)5-4-10(25)27-7-13(19,20)15(23,24)14(21,22)12(17)18/h1-6,12H,7H2/b5-4+
InChIKey IHFHMNZRHFIVBP-SNAWJCMRSA-N
Mol Weight 440.67 g/mol
Molecular Formula C15H9ClF8O4
Exact Mass 440.006162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4a7q6ehC1qk
Name Fumaric acid, 3-chlorophenyl 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 440.006161770 u
Formula C15H9ClF8O4
InChI InChI=1S/C15H9ClF8O4/c16-8-2-1-3-9(6-8)28-11(26)5-4-10(25)27-7-13(19,20)15(23,24)14(21,22)12(17)18/h1-6,12H,7H2/b5-4+
InChIKey IHFHMNZRHFIVBP-SNAWJCMRSA-N
Molecular Weight 440.673 g/mol
SMILES C(\C=C\C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)(OC1=CC(=CC=C1)Cl)=O