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Genistein, o,o',o''-tri(pentafluoropropionyl)-

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Genistein, o,o',o''-tri(pentafluoropropionyl)-
SpectraBase Compound ID DUbrjF9ro3W
InChI InChI=1S/C24H7F15O8/c25-19(26,22(31,32)33)16(41)45-9-3-1-8(2-4-9)11-7-44-12-5-10(46-17(42)20(27,28)23(34,35)36)6-13(14(12)15(11)40)47-18(43)21(29,30)24(37,38)39/h1-7H
InChIKey JEYOTNFWBRDYDO-UHFFFAOYSA-N
Mol Weight 708.29 g/mol
Molecular Formula C24H7F15O8
Exact Mass 707.99014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DUFfK30BUOq
Name Genistein, o,o',o''-tri(pentafluoropropionyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 707.990139622 u
Formula C24H7F15O8
InChI InChI=1S/C24H7F15O8/c25-19(26,22(31,32)33)16(41)45-9-3-1-8(2-4-9)11-7-44-12-5-10(46-17(42)20(27,28)23(34,35)36)6-13(14(12)15(11)40)47-18(43)21(29,30)24(37,38)39/h1-7H
InChIKey JEYOTNFWBRDYDO-UHFFFAOYSA-N
Molecular Weight 708.288 g/mol
SMILES C1=C(C=C2C(=C1OC(C(C(F)(F)F)(F)F)=O)C(C(=CO2)C1=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O)=O)OC(C(C(F)(F)F)(F)F)=O