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4'-Hydroxy-3'-methoxyflavanone, trifluoroacetate

View entire compound with spectra: 1 NMR

4'-Hydroxy-3'-methoxyflavanone, trifluoroacetate
SpectraBase Compound ID GY54qevUG5G
InChI InChI=1S/C18H13F3O5/c1-24-16-14(22)12-4-2-3-5-13(12)26-15(16)10-6-8-11(9-7-10)25-17(23)18(19,20)21/h2-9,15-16H,1H3
InChIKey XQHRAYRBUMGESU-UHFFFAOYSA-N
Mol Weight 366.29 g/mol
Molecular Formula C18H13F3O5
Exact Mass 366.071508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LKiXjDaqbeH
Name 4'-Hydroxy-3'-methoxyflavanone, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 366.071508003 u
Formula C18H13F3O5
InChI InChI=1S/C18H13F3O5/c1-24-16-14(22)12-4-2-3-5-13(12)26-15(16)10-6-8-11(9-7-10)25-17(23)18(19,20)21/h2-9,15-16H,1H3
InChIKey XQHRAYRBUMGESU-UHFFFAOYSA-N
Molecular Weight 366.292 g/mol
SMILES C1=C(C=CC(=C1)OC(C(F)(F)F)=O)C1C(OC)C(C2=CC=CC=C2O1)=O