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Biochanin A, pentafluoropropionyl ether

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Biochanin A, pentafluoropropionyl ether
SpectraBase Compound ID Cr6QJDBzjTu
InChI InChI=1S/C19H11F5O6/c1-28-10-4-2-9(3-5-10)12-8-29-14-7-11(6-13(25)15(14)16(12)26)30-17(27)18(20,21)19(22,23)24/h2-8,25H,1H3
InChIKey MOERJSMCBJOBOI-UHFFFAOYSA-N
Mol Weight 430.28 g/mol
Molecular Formula C19H11F5O6
Exact Mass 430.047579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CqjOaBl9BB1
Name Biochanin A, pentafluoropropionyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.047578883 u
Formula C19H11F5O6
InChI InChI=1S/C19H11F5O6/c1-28-10-4-2-9(3-5-10)12-8-29-14-7-11(6-13(25)15(14)16(12)26)30-17(27)18(20,21)19(22,23)24/h2-8,25H,1H3
InChIKey MOERJSMCBJOBOI-UHFFFAOYSA-N
Molecular Weight 430.283 g/mol
SMILES C1=2OC=C(C(C2C(O)=CC(OC(C(C(F)(F)F)(F)F)=O)=C1)=O)C1=CC=C(OC)C=C1