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

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Fumaric acid, 4-cyanophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID DzSJNOODf3l
InChI InChI=1S/C16H9F8NO4/c17-13(18)15(21,22)16(23,24)14(19,20)8-28-11(26)5-6-12(27)29-10-3-1-9(7-25)2-4-10/h1-6,13H,8H2/b6-5+
InChIKey YWWQNIOXWMDAPP-AATRIKPKSA-N
Mol Weight 431.24 g/mol
Molecular Formula C16H9F8NO4
Exact Mass 431.040383 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HHOWfhSmmEo
Name Fumaric acid, 4-cyanophenyl 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 431.040383074 u
Formula C16H9F8NO4
InChI InChI=1S/C16H9F8NO4/c17-13(18)15(21,22)16(23,24)14(19,20)8-28-11(26)5-6-12(27)29-10-3-1-9(7-25)2-4-10/h1-6,13H,8H2/b6-5+
InChIKey YWWQNIOXWMDAPP-AATRIKPKSA-N
Molecular Weight 431.238 g/mol
SMILES C(\C=C\C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)(OC1=CC=C(C=C1)C#N)=O