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5,7-Dimethoxy-4'-hydroxyflavanone, trifluoroacetate

View entire compound with spectra: 1 NMR

5,7-Dimethoxy-4'-hydroxyflavanone, trifluoroacetate
SpectraBase Compound ID ASgaiSiqp9z
InChI InChI=1S/C19H15F3O6/c1-25-12-7-15(26-2)17-13(23)9-14(28-16(17)8-12)10-3-5-11(6-4-10)27-18(24)19(20,21)22/h3-8,14H,9H2,1-2H3
InChIKey NQWZYSPQUIBYBT-UHFFFAOYSA-N
Mol Weight 396.32 g/mol
Molecular Formula C19H15F3O6
Exact Mass 396.082073 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EME3htJGy8x
Name 5,7-Dimethoxy-4'-hydroxyflavanone, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 396.082072686 u
Formula C19H15F3O6
InChI InChI=1S/C19H15F3O6/c1-25-12-7-15(26-2)17-13(23)9-14(28-16(17)8-12)10-3-5-11(6-4-10)27-18(24)19(20,21)22/h3-8,14H,9H2,1-2H3
InChIKey NQWZYSPQUIBYBT-UHFFFAOYSA-N
Molecular Weight 396.318 g/mol
SMILES C1=C(C=CC(=C1)OC(C(F)(F)F)=O)C1CC(C2=C(C=C(C=C2O1)OC)OC)=O