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2,3,4-Trihydroxybenzophenone, tris(pentafluoropropionate)

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2,3,4-Trihydroxybenzophenone, tris(pentafluoropropionate)
SpectraBase Compound ID 10AZltMXbwT
InChI InChI=1S/C22H7F15O7/c23-17(24,20(29,30)31)14(39)42-10-7-6-9(11(38)8-4-2-1-3-5-8)12(43-15(40)18(25,26)21(32,33)34)13(10)44-16(41)19(27,28)22(35,36)37/h1-7H
InChIKey XQJHUFBUHZCRFY-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 14htmkz5Vq0
Name 2,3,4-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)42-10-7-6-9(11(38)8-4-2-1-3-5-8)12(43-15(40)18(25,26)21(32,33)34)13(10)44-16(41)19(27,28)22(35,36)37/h1-7H
InChIKey XQJHUFBUHZCRFY-UHFFFAOYSA-N
Molecular Weight 668.267 g/mol
SMILES C1(OC(C(C(F)(F)F)(F)F)=O)=C(C(=CC=C1OC(C(C(F)(F)F)(F)F)=O)C(=O)C1=CC=CC=C1)OC(C(C(F)(F)F)(F)F)=O