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Pyrogallol, tris(pentafluoropropionate)

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

Pyrogallol, tris(pentafluoropropionate)
SpectraBase Compound ID 2OhzoSyivJ8
InChI InChI=1S/C15H3F15O6/c16-10(17,13(22,23)24)7(31)34-4-2-1-3-5(35-8(32)11(18,19)14(25,26)27)6(4)36-9(33)12(20,21)15(28,29)30/h1-3H
InChIKey LTEIEOOUEFMQRH-UHFFFAOYSA-N
Mol Weight 564.16 g/mol
Molecular Formula C15H3F15O6
Exact Mass 563.96901 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPkrVwLuynF
Name Pyrogallol, tris(pentafluoropropionate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 563.969010256 u
Formula C15H3F15O6
InChI InChI=1S/C15H3F15O6/c16-10(17,13(22,23)24)7(31)34-4-2-1-3-5(35-8(32)11(18,19)14(25,26)27)6(4)36-9(33)12(20,21)15(28,29)30/h1-3H
InChIKey LTEIEOOUEFMQRH-UHFFFAOYSA-N
Molecular Weight 564.159 g/mol
SMILES C1(=C(C=CC=C1OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O