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2,4,4'-Trihydroxybenzophenone, tris(pentafluoropropionate)

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

2,4,4'-Trihydroxybenzophenone, tris(pentafluoropropionate)
SpectraBase Compound ID BCr9uxay94O
InChI InChI=1S/C22H7F15O7/c23-17(24,20(29,30)31)14(39)42-9-3-1-8(2-4-9)13(38)11-6-5-10(43-15(40)18(25,26)21(32,33)34)7-12(11)44-16(41)19(27,28)22(35,36)37/h1-7H
InChIKey TVOPPOUTAHGBOD-UHFFFAOYSA-N
Mol Weight 668.27 g/mol
Molecular Formula C22H7F15O7
Exact Mass 667.995225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 17nxTAM22MG
Name 2,4,4'-Trihydroxybenzophenone, tris(pentafluoropropionate)
Comments Computed using HOSE algorithm
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Exact Mass 667.995225003 u
Formula C22H7F15O7
InChI InChI=1S/C22H7F15O7/c23-17(24,20(29,30)31)14(39)42-9-3-1-8(2-4-9)13(38)11-6-5-10(43-15(40)18(25,26)21(32,33)34)7-12(11)44-16(41)19(27,28)22(35,36)37/h1-7H
InChIKey TVOPPOUTAHGBOD-UHFFFAOYSA-N
Molecular Weight 668.267 g/mol
SMILES C1(OC(C(C(F)(F)F)(F)F)=O)=C(C=CC(=C1)OC(C(C(F)(F)F)(F)F)=O)C(=O)C1=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O