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Quinizarin, o,o'-bis(pentafluoropropionyl)-

View entire compound with spectra: 1 NMR

Quinizarin, o,o'-bis(pentafluoropropionyl)-
SpectraBase Compound ID 4ggPpbRrB9S
InChI InChI=1S/C20H6F10O6/c21-17(22,19(25,26)27)15(33)35-9-5-6-10(36-16(34)18(23,24)20(28,29)30)12-11(9)13(31)7-3-1-2-4-8(7)14(12)32/h1-6H
InChIKey DCXIHXVKWYCTKT-UHFFFAOYSA-N
Mol Weight 532.25 g/mol
Molecular Formula C20H6F10O6
Exact Mass 532.00047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID WM7igF1OUE
Name Quinizarin, o,o'-bis(pentafluoropropionyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 532.000469537 u
Formula C20H6F10O6
InChI InChI=1S/C20H6F10O6/c21-17(22,19(25,26)27)15(33)35-9-5-6-10(36-16(34)18(23,24)20(28,29)30)12-11(9)13(31)7-3-1-2-4-8(7)14(12)32/h1-6H
InChIKey DCXIHXVKWYCTKT-UHFFFAOYSA-N
Molecular Weight 532.246 g/mol
SMILES C1=CC=C2C(=C1)C(C=1C(C2=O)=C(C=CC1OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O)=O