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2,4,4'-Trihydroxybenzophenone, tri-tfa

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2,4,4'-Trihydroxybenzophenone, tri-tfa
SpectraBase Compound ID KQ4XSgDkbFF
InChI InChI=1S/C19H7F9O7/c20-17(21,22)14(30)33-9-3-1-8(2-4-9)13(29)11-6-5-10(34-15(31)18(23,24)25)7-12(11)35-16(32)19(26,27)28/h1-7H
InChIKey WEYHGQJWQRZWKJ-UHFFFAOYSA-N
Mol Weight 518.24 g/mol
Molecular Formula C19H7F9O7
Exact Mass 518.004806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BnEbNujmmW2
Name 2,4,4'-Trihydroxybenzophenone, tri-tfa
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.004806025 u
Formula C19H7F9O7
InChI InChI=1S/C19H7F9O7/c20-17(21,22)14(30)33-9-3-1-8(2-4-9)13(29)11-6-5-10(34-15(31)18(23,24)25)7-12(11)35-16(32)19(26,27)28/h1-7H
InChIKey WEYHGQJWQRZWKJ-UHFFFAOYSA-N
Molecular Weight 518.244 g/mol
SMILES C1(OC(C(F)(F)F)=O)=C(C=CC(=C1)OC(C(F)(F)F)=O)C(=O)C1=CC=C(C=C1)OC(C(F)(F)F)=O