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4,4'-Dihydroxybenzophenone, bis(trifluoroacetate)

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4,4'-Dihydroxybenzophenone, bis(trifluoroacetate)
SpectraBase Compound ID 7pXJv51j6cb
InChI InChI=1S/C17H8F6O5/c18-16(19,20)14(25)27-11-5-1-9(2-6-11)13(24)10-3-7-12(8-4-10)28-15(26)17(21,22)23/h1-8H
InChIKey GITTTZVYPDILFZ-UHFFFAOYSA-N
Mol Weight 406.24 g/mol
Molecular Formula C17H8F6O5
Exact Mass 406.027592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JOYUPNhwmG
Name 4,4'-Dihydroxybenzophenone, bis(trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.027592331 u
Formula C17H8F6O5
InChI InChI=1S/C17H8F6O5/c18-16(19,20)14(25)27-11-5-1-9(2-6-11)13(24)10-3-7-12(8-4-10)28-15(26)17(21,22)23/h1-8H
InChIKey GITTTZVYPDILFZ-UHFFFAOYSA-N
Molecular Weight 406.236 g/mol
SMILES C1(OC(C(F)(F)F)=O)=CC=C(C=C1)C(=O)C1=CC=C(C=C1)OC(C(F)(F)F)=O