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4,4'-Dihydroxybenzophenone, bis(pentafluoropropionate)

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4,4'-Dihydroxybenzophenone, bis(pentafluoropropionate)
SpectraBase Compound ID AvFLml9cnQ9
InChI InChI=1S/C19H8F10O5/c20-16(21,18(24,25)26)14(31)33-11-5-1-9(2-6-11)13(30)10-3-7-12(8-4-10)34-15(32)17(22,23)19(27,28)29/h1-8H
InChIKey JJXPEXPUIRHOEL-UHFFFAOYSA-N
Mol Weight 506.25 g/mol
Molecular Formula C19H8F10O5
Exact Mass 506.021205 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7X1R2QEgg
Name 4,4'-Dihydroxybenzophenone, bis(pentafluoropropionate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.021204983 u
Formula C19H8F10O5
InChI InChI=1S/C19H8F10O5/c20-16(21,18(24,25)26)14(31)33-11-5-1-9(2-6-11)13(30)10-3-7-12(8-4-10)34-15(32)17(22,23)19(27,28)29/h1-8H
InChIKey JJXPEXPUIRHOEL-UHFFFAOYSA-N
Molecular Weight 506.252 g/mol
SMILES C1(OC(C(C(F)(F)F)(F)F)=O)=CC=C(C=C1)C(=O)C1=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O