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4',6'-Dimethoxy-2'-hydroxychalcone, trifluoroacetate
SpectraBase Compound ID IFcX0Jn7ci8
InChI InChI=1S/C19H15F3O5/c1-25-13-10-15(26-2)17(16(11-13)27-18(24)19(20,21)22)14(23)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b9-8+
InChIKey QTFIFDLRRYTTOH-CMDGGOBGSA-N
Mol Weight 380.32 g/mol
Molecular Formula C19H15F3O5
Exact Mass 380.087158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 65z1ucnviFz
Name 4',6'-Dimethoxy-2'-hydroxychalcone, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 380.087158067 u
Formula C19H15F3O5
InChI InChI=1S/C19H15F3O5/c1-25-13-10-15(26-2)17(16(11-13)27-18(24)19(20,21)22)14(23)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b9-8+
InChIKey QTFIFDLRRYTTOH-CMDGGOBGSA-N
Molecular Weight 380.319 g/mol
SMILES C1(=C(C=C(C=C1OC(C(F)(F)F)=O)OC)OC)C(\C=C\C1=CC=CC=C1)=O