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2',4'-Dihydroxy-2,3-dimethoxychalcone, bis(trifluoroacetate)

View entire compound with spectra: 1 NMR

2',4'-Dihydroxy-2,3-dimethoxychalcone, bis(trifluoroacetate)
SpectraBase Compound ID BoHYXCZnxl6
InChI InChI=1S/C21H14F6O7/c1-31-15-5-3-4-11(17(15)32-2)6-9-14(28)13-8-7-12(33-18(29)20(22,23)24)10-16(13)34-19(30)21(25,26)27/h3-10H,1-2H3/b9-6+
InChIKey MQJKIMCTBAYWSW-RMKNXTFCSA-N
Mol Weight 492.33 g/mol
Molecular Formula C21H14F6O7
Exact Mass 492.064372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5dG5NBSYLJV
Name 2',4'-Dihydroxy-2,3-dimethoxychalcone, bis(trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.064371762 u
Formula C21H14F6O7
InChI InChI=1S/C21H14F6O7/c1-31-15-5-3-4-11(17(15)32-2)6-9-14(28)13-8-7-12(33-18(29)20(22,23)24)10-16(13)34-19(30)21(25,26)27/h3-10H,1-2H3/b9-6+
InChIKey MQJKIMCTBAYWSW-RMKNXTFCSA-N
Molecular Weight 492.326 g/mol
SMILES C1(=CC=C(C=C1OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)C(\C=C\C1=CC=CC(=C1OC)OC)=O