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Daidzein, bis(heptafluorobutyrate)
SpectraBase Compound ID Kic8UFNDtiI
InChI InChI=1S/C23H8F14O6/c24-18(25,20(28,29)22(32,33)34)16(39)42-10-3-1-9(2-4-10)13-8-41-14-7-11(5-6-12(14)15(13)38)43-17(40)19(26,27)21(30,31)23(35,36)37/h1-8H
InChIKey XCWYBGPHYVXFDR-UHFFFAOYSA-N
Mol Weight 646.29 g/mol
Molecular Formula C23H8F14O6
Exact Mass 646.009732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K8fJUF6lbu0
Name Daidzein, bis(heptafluorobutyrate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 646.009732254 u
Formula C23H8F14O6
InChI InChI=1S/C23H8F14O6/c24-18(25,20(28,29)22(32,33)34)16(39)42-10-3-1-9(2-4-10)13-8-41-14-7-11(5-6-12(14)15(13)38)43-17(40)19(26,27)21(30,31)23(35,36)37/h1-8H
InChIKey XCWYBGPHYVXFDR-UHFFFAOYSA-N
Molecular Weight 646.289 g/mol
SMILES C1(=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=1C(=O)C2=C(C=C(C=C2)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC1