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3',4'-Dimethoxyflavonol, chlorodifluoroacetate

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3',4'-Dimethoxyflavonol, chlorodifluoroacetate
SpectraBase Compound ID 6czIrVhjnDW
InChI InChI=1S/C19H13ClF2O6/c1-25-13-8-7-10(9-14(13)26-2)16-17(28-18(24)19(20,21)22)15(23)11-5-3-4-6-12(11)27-16/h3-9H,1-2H3
InChIKey UWEKNPJUODAXOV-UHFFFAOYSA-N
Mol Weight 410.76 g/mol
Molecular Formula C19H13ClF2O6
Exact Mass 410.036872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ao20WkdoAHh
Name 3',4'-Dimethoxyflavonol, chlorodifluoroacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.036872159 u
Formula C19H13ClF2O6
InChI InChI=1S/C19H13ClF2O6/c1-25-13-8-7-10(9-14(13)26-2)16-17(28-18(24)19(20,21)22)15(23)11-5-3-4-6-12(11)27-16/h3-9H,1-2H3
InChIKey UWEKNPJUODAXOV-UHFFFAOYSA-N
Molecular Weight 410.757 g/mol
SMILES C1=C(C=CC(=C1OC)OC)C1=C(OC(C(F)(F)Cl)=O)C(C2=CC=CC=C2O1)=O