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p-Coumaroyl alcohol, bis(heptafluorobutyrate)

View entire compound with spectra: 1 NMR, and 1 FTIR

p-Coumaroyl alcohol, bis(heptafluorobutyrate)
SpectraBase Compound ID JwCjSMEY0SW
InChI InChI=1S/C17H8F14O4/c18-12(19,14(22,23)16(26,27)28)10(32)34-7-1-2-8-3-5-9(6-4-8)35-11(33)13(20,21)15(24,25)17(29,30)31/h1-6H,7H2/b2-1+
InChIKey FMNUMCUIVPMWHJ-OWOJBTEDSA-N
Mol Weight 542.22 g/mol
Molecular Formula C17H8F14O4
Exact Mass 542.019903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IWdyG6Aqwre
Name p-Coumaroyl alcohol, bis(heptafluorobutyrate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 542.019903016 u
Formula C17H8F14O4
InChI InChI=1S/C17H8F14O4/c18-12(19,14(22,23)16(26,27)28)10(32)34-7-1-2-8-3-5-9(6-4-8)35-11(33)13(20,21)15(24,25)17(29,30)31/h1-6H,7H2/b2-1+
InChIKey FMNUMCUIVPMWHJ-OWOJBTEDSA-N
Molecular Weight 542.225 g/mol
SMILES C(\C=C\C1=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F