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Daidzein, bis(trifluoroacetate)

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

Daidzein, bis(trifluoroacetate)
SpectraBase Compound ID 8tssGIs9PUb
InChI InChI=1S/C19H8F6O6/c20-18(21,22)16(27)30-10-3-1-9(2-4-10)13-8-29-14-7-11(5-6-12(14)15(13)26)31-17(28)19(23,24)25/h1-8H
InChIKey DKJNBGZWBQBAFX-UHFFFAOYSA-N
Mol Weight 446.26 g/mol
Molecular Formula C19H8F6O6
Exact Mass 446.022507 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5uLA52MTdcY
Name Daidzein, bis(trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.022506950 u
Formula C19H8F6O6
InChI InChI=1S/C19H8F6O6/c20-18(21,22)16(27)30-10-3-1-9(2-4-10)13-8-29-14-7-11(5-6-12(14)15(13)26)31-17(28)19(23,24)25/h1-8H
InChIKey DKJNBGZWBQBAFX-UHFFFAOYSA-N
Molecular Weight 446.257 g/mol
SMILES C1(=CC=C(C=C1)OC(C(F)(F)F)=O)C=1C(=O)C2=C(C=C(C=C2)OC(C(F)(F)F)=O)OC1