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2,5'-Dimethoxy-2'-hydroxychalcone, trifluoroacetate
SpectraBase Compound ID 6OeiwES57Ru
InChI InChI=1S/C19H15F3O5/c1-25-13-8-10-17(27-18(24)19(20,21)22)14(11-13)15(23)9-7-12-5-3-4-6-16(12)26-2/h3-11H,1-2H3/b9-7+
InChIKey IACUSKLYVPWYIK-VQHVLOKHSA-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 Qnvvc1Vqp7
Name 2,5'-Dimethoxy-2'-hydroxychalcone, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 380.087158067 u
Formula C19H15F3O5
InChI InChI=1S/C19H15F3O5/c1-25-13-8-10-17(27-18(24)19(20,21)22)14(11-13)15(23)9-7-12-5-3-4-6-16(12)26-2/h3-11H,1-2H3/b9-7+
InChIKey IACUSKLYVPWYIK-VQHVLOKHSA-N
Molecular Weight 380.319 g/mol
SMILES C1(=CC(=CC=C1OC(C(F)(F)F)=O)OC)C(\C=C\C1=C(C=CC=C1)OC)=O