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4,2',5'-Trihydroxychalcone, tris(trifluoroacetate)

View entire compound with spectra: 1 NMR, and 1 FTIR

4,2',5'-Trihydroxychalcone, tris(trifluoroacetate)
SpectraBase Compound ID 70PoALaBEch
InChI InChI=1S/C21H9F9O7/c22-19(23,24)16(32)35-11-4-1-10(2-5-11)3-7-14(31)13-9-12(36-17(33)20(25,26)27)6-8-15(13)37-18(34)21(28,29)30/h1-9H/b7-3+
InChIKey SZZJPLKEJMGBKY-XVNBXDOJSA-N
Mol Weight 544.28 g/mol
Molecular Formula C21H9F9O7
Exact Mass 544.020456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IPoOnBgc9my
Name 4,2',5'-Trihydroxychalcone, tris(trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 544.020456090 u
Formula C21H9F9O7
InChI InChI=1S/C21H9F9O7/c22-19(23,24)16(32)35-11-4-1-10(2-5-11)3-7-14(31)13-9-12(36-17(33)20(25,26)27)6-8-15(13)37-18(34)21(28,29)30/h1-9H/b7-3+
InChIKey SZZJPLKEJMGBKY-XVNBXDOJSA-N
Molecular Weight 544.282 g/mol
SMILES C1(=CC(=CC=C1OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)C(\C=C\C1=CC=C(C=C1)OC(C(F)(F)F)=O)=O