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Fumaric acid, di(pentafluorobenzyl) ester

View entire compound with spectra: 1 NMR

Fumaric acid, di(pentafluorobenzyl) ester
SpectraBase Compound ID 4dK7u405Ome
InChI InChI=1S/C18H6F10O4/c19-9-5(10(20)14(24)17(27)13(9)23)3-31-7(29)1-2-8(30)32-4-6-11(21)15(25)18(28)16(26)12(6)22/h1-2H,3-4H2/b2-1+
InChIKey IIQZBSJRHSWMSU-OWOJBTEDSA-N
Mol Weight 476.23 g/mol
Molecular Formula C18H6F10O4
Exact Mass 476.01064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1YlItZIH834
Name Fumaric acid, di(pentafluorobenzyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.010640299 u
Formula C18H6F10O4
InChI InChI=1S/C18H6F10O4/c19-9-5(10(20)14(24)17(27)13(9)23)3-31-7(29)1-2-8(30)32-4-6-11(21)15(25)18(28)16(26)12(6)22/h1-2H,3-4H2/b2-1+
InChIKey IIQZBSJRHSWMSU-OWOJBTEDSA-N
Molecular Weight 476.226 g/mol
SMILES C(\C=C\C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O