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3-Hydroxy-4'-methoxy-6-methylflavone, trifluoroacetate
SpectraBase Compound ID 25rJ0PF1OXo
InChI InChI=1S/C19H13F3O5/c1-10-3-8-14-13(9-10)15(23)17(27-18(24)19(20,21)22)16(26-14)11-4-6-12(25-2)7-5-11/h3-9H,1-2H3
InChIKey WPGNAYSMURAURJ-UHFFFAOYSA-N
Mol Weight 378.3 g/mol
Molecular Formula C19H13F3O5
Exact Mass 378.071508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9E0ZgcQMuZW
Name 3-Hydroxy-4'-methoxy-6-methylflavone, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 378.071508003 u
Formula C19H13F3O5
InChI InChI=1S/C19H13F3O5/c1-10-3-8-14-13(9-10)15(23)17(27-18(24)19(20,21)22)16(26-14)11-4-6-12(25-2)7-5-11/h3-9H,1-2H3
InChIKey WPGNAYSMURAURJ-UHFFFAOYSA-N
Molecular Weight 378.303 g/mol
SMILES C1=C(C=CC(=C1)OC)C1=C(OC(C(F)(F)F)=O)C(C2=CC(=CC=C2O1)C)=O