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

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Fumaric acid, 3-phenylpropyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID mo2IR9rUIp
InChI InChI=1S/C18H16F8O4/c19-15(20)17(23,24)18(25,26)16(21,22)11-30-14(28)9-8-13(27)29-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,15H,4,7,10-11H2/b9-8+
InChIKey OLOPHWGRMNDZLI-CMDGGOBGSA-N
Mol Weight 448.31 g/mol
Molecular Formula C18H16F8O4
Exact Mass 448.092084 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DYdzlLnCvS3
Name Fumaric acid, 3-phenylpropyl 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 448.092084295 u
Formula C18H16F8O4
InChI InChI=1S/C18H16F8O4/c19-15(20)17(23,24)18(25,26)16(21,22)11-30-14(28)9-8-13(27)29-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,15H,4,7,10-11H2/b9-8+
InChIKey OLOPHWGRMNDZLI-CMDGGOBGSA-N
Molecular Weight 448.309 g/mol
SMILES C(\C=C\C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)(OCCCC1=CC=CC=C1)=O