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3-Hydroxy-7,2',4'-trimethoxyflavone, chlorodifluoroacetate

View entire compound with spectra: 1 NMR

3-Hydroxy-7,2',4'-trimethoxyflavone, chlorodifluoroacetate
SpectraBase Compound ID 3CdZ8UWNjOz
InChI InChI=1S/C20H15ClF2O7/c1-26-10-5-7-13(14(8-10)28-3)17-18(30-19(25)20(21,22)23)16(24)12-6-4-11(27-2)9-15(12)29-17/h4-9H,1-3H3
InChIKey PEEQSPBMTLJFDU-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 AnRyINrsJwG
Name 3-Hydroxy-7,2',4'-trimethoxyflavone, chlorodifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 440.047436842 u
Formula C20H15ClF2O7
InChI InChI=1S/C20H15ClF2O7/c1-26-10-5-7-13(14(8-10)28-3)17-18(30-19(25)20(21,22)23)16(24)12-6-4-11(27-2)9-15(12)29-17/h4-9H,1-3H3
InChIKey PEEQSPBMTLJFDU-UHFFFAOYSA-N
Molecular Weight 440.783 g/mol
SMILES C1(=C(C=CC(=C1)OC)C1=C(OC(C(F)(F)Cl)=O)C(C2=CC=C(C=C2O1)OC)=O)OC