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2,2',4,4'-Tetrahydroxybenzophenone, tetrakis(trifluoroacetate)

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2,2',4,4'-Tetrahydroxybenzophenone, tetrakis(trifluoroacetate)
SpectraBase Compound ID ImLZyUFwakI
InChI InChI=1S/C21H6F12O9/c22-18(23,24)14(35)39-7-1-3-9(11(5-7)41-16(37)20(28,29)30)13(34)10-4-2-8(40-15(36)19(25,26)27)6-12(10)42-17(38)21(31,32)33/h1-6H
InChIKey CKWWCDDQYRJFQN-UHFFFAOYSA-N
Mol Weight 630.25 g/mol
Molecular Formula C21H6F12O9
Exact Mass 629.98202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JqmfkLSIG9J
Name 2,2',4,4'-Tetrahydroxybenzophenone, tetrakis(trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 629.982019720 u
Formula C21H6F12O9
InChI InChI=1S/C21H6F12O9/c22-18(23,24)14(35)39-7-1-3-9(11(5-7)41-16(37)20(28,29)30)13(34)10-4-2-8(40-15(36)19(25,26)27)6-12(10)42-17(38)21(31,32)33/h1-6H
InChIKey CKWWCDDQYRJFQN-UHFFFAOYSA-N
Molecular Weight 630.251 g/mol
SMILES C1(OC(C(F)(F)F)=O)=C(C=CC(=C1)OC(C(F)(F)F)=O)C(=O)C1=C(C=C(C=C1)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O