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2',3',4'-Trihydroxychalcone, tris(pentafluoropropionate)

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2',3',4'-Trihydroxychalcone, tris(pentafluoropropionate)
SpectraBase Compound ID 7CokuGtupKv
InChI InChI=1S/C24H9F15O7/c25-19(26,22(31,32)33)16(41)44-13-9-7-11(12(40)8-6-10-4-2-1-3-5-10)14(45-17(42)20(27,28)23(34,35)36)15(13)46-18(43)21(29,30)24(37,38)39/h1-9H/b8-6+
InChIKey DDPDQBQMHHPZFY-SOFGYWHQSA-N
Mol Weight 694.31 g/mol
Molecular Formula C24H9F15O7
Exact Mass 694.010875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HlsPbciR2bi
Name 2',3',4'-Trihydroxychalcone, tris(pentafluoropropionate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 694.010875068 u
Formula C24H9F15O7
InChI InChI=1S/C24H9F15O7/c25-19(26,22(31,32)33)16(41)44-13-9-7-11(12(40)8-6-10-4-2-1-3-5-10)14(45-17(42)20(27,28)23(34,35)36)15(13)46-18(43)21(29,30)24(37,38)39/h1-9H/b8-6+
InChIKey DDPDQBQMHHPZFY-SOFGYWHQSA-N
Molecular Weight 694.305 g/mol
SMILES C1(=CC=C(C(=C1OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O)C(\C=C\C1=CC=CC=C1)=O