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Biochanin A, heptafluorobutyryl ether

View entire compound with spectra: 1 NMR

Biochanin A, heptafluorobutyryl ether
SpectraBase Compound ID 5r7QLEMeyVY
InChI InChI=1S/C20H11F7O6/c1-31-10-4-2-9(3-5-10)12-8-32-14-7-11(6-13(28)15(14)16(12)29)33-17(30)18(21,22)19(23,24)20(25,26)27/h2-8,28H,1H3
InChIKey WVINLPQZORNBHX-UHFFFAOYSA-N
Mol Weight 480.29 g/mol
Molecular Formula C20H11F7O6
Exact Mass 480.044385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EXlmdJ7RnRn
Name Biochanin A, heptafluorobutyryl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.044385209 u
Formula C20H11F7O6
InChI InChI=1S/C20H11F7O6/c1-31-10-4-2-9(3-5-10)12-8-32-14-7-11(6-13(28)15(14)16(12)29)33-17(30)18(21,22)19(23,24)20(25,26)27/h2-8,28H,1H3
InChIKey WVINLPQZORNBHX-UHFFFAOYSA-N
Molecular Weight 480.291 g/mol
SMILES C1=2OC=C(C(C2C(O)=CC(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C1)=O)C1=CC=C(OC)C=C1