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3-Hydroxy-3',4',5'-trimethoxyflavone, chlorodifluoroacetate

View entire compound with spectra: 1 NMR

3-Hydroxy-3',4',5'-trimethoxyflavone, chlorodifluoroacetate
SpectraBase Compound ID 18C7TcmnirW
InChI InChI=1S/C20H15ClF2O7/c1-26-13-8-10(9-14(27-2)17(13)28-3)16-18(30-19(25)20(21,22)23)15(24)11-6-4-5-7-12(11)29-16/h4-9H,1-3H3
InChIKey PLVNEZFXYXMXKO-UHFFFAOYSA-N
Mol Weight 440.78 g/mol
Molecular Formula C20H15ClF2O7
Exact Mass 440.047437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91GZj4Cwa91
Name 3-Hydroxy-3',4',5'-trimethoxyflavone, chlorodifluoroacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.047436842 u
Formula C20H15ClF2O7
InChI InChI=1S/C20H15ClF2O7/c1-26-13-8-10(9-14(27-2)17(13)28-3)16-18(30-19(25)20(21,22)23)15(24)11-6-4-5-7-12(11)29-16/h4-9H,1-3H3
InChIKey PLVNEZFXYXMXKO-UHFFFAOYSA-N
Molecular Weight 440.783 g/mol
SMILES C1=C(C=C(C(=C1OC)OC)OC)C1=C(OC(C(F)(F)Cl)=O)C(C2=CC=CC=C2O1)=O