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2'-Hydroxy-2,3,4'-trimethoxychalcone, trifluoroacetate
SpectraBase Compound ID 1K29qvoVgSu
InChI InChI=1S/C20H17F3O6/c1-26-13-8-9-14(17(11-13)29-19(25)20(21,22)23)15(24)10-7-12-5-4-6-16(27-2)18(12)28-3/h4-11H,1-3H3/b10-7+
InChIKey OEBURISCJPEQSJ-JXMROGBWSA-N
Mol Weight 410.35 g/mol
Molecular Formula C20H17F3O6
Exact Mass 410.097723 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 48ILOozLv7y
Name 2'-Hydroxy-2,3,4'-trimethoxychalcone, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 410.097722750 u
Formula C20H17F3O6
InChI InChI=1S/C20H17F3O6/c1-26-13-8-9-14(17(11-13)29-19(25)20(21,22)23)15(24)10-7-12-5-4-6-16(27-2)18(12)28-3/h4-11H,1-3H3/b10-7+
InChIKey OEBURISCJPEQSJ-JXMROGBWSA-N
Molecular Weight 410.345 g/mol
SMILES C1(=CC=C(C=C1OC(C(F)(F)F)=O)OC)C(\C=C\C1=CC=CC(=C1OC)OC)=O