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

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Quinizarin, o,o'-bis(trifluoroacetyl)-
SpectraBase Compound ID LXz7bAD0Rsl
InChI InChI=1S/C18H6F6O6/c19-17(20,21)15(27)29-9-5-6-10(30-16(28)18(22,23)24)12-11(9)13(25)7-3-1-2-4-8(7)14(12)26/h1-6H
InChIKey FMSXUTIUDZYRJY-UHFFFAOYSA-N
Mol Weight 432.23 g/mol
Molecular Formula C18H6F6O6
Exact Mass 432.006857 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 70JMNKWTpBc
Name Quinizarin, o,o'-bis(trifluoroacetyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.006856885 u
Formula C18H6F6O6
InChI InChI=1S/C18H6F6O6/c19-17(20,21)15(27)29-9-5-6-10(30-16(28)18(22,23)24)12-11(9)13(25)7-3-1-2-4-8(7)14(12)26/h1-6H
InChIKey FMSXUTIUDZYRJY-UHFFFAOYSA-N
Molecular Weight 432.230 g/mol
SMILES C1=CC=C2C(=C1)C(C=1C(C2=O)=C(C=CC1OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)=O