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4-Benzoyl-1,3-phenylene bis(2,2,2-trifluoroacetate)
SpectraBase Compound ID Ceyy9ciklLV
InChI InChI=1S/C17H8F6O5/c18-16(19,20)14(25)27-10-6-7-11(13(24)9-4-2-1-3-5-9)12(8-10)28-15(26)17(21,22)23/h1-8H
InChIKey KSUTVLNLILHQRQ-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 70PpZlROrM0
Name 4-Benzoyl-1,3-phenylene bis(2,2,2-trifluoroacetate)
Comments Computed using HOSE algorithm
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Exact Mass 406.027592331 u
Formula C17H8F6O5
InChI InChI=1S/C17H8F6O5/c18-16(19,20)14(25)27-10-6-7-11(13(24)9-4-2-1-3-5-9)12(8-10)28-15(26)17(21,22)23/h1-8H
InChIKey KSUTVLNLILHQRQ-UHFFFAOYSA-N
Molecular Weight 406.236 g/mol
SMILES C(C1=C(C=C(C=C1)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)(C1=CC=CC=C1)=O