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2',4'-Dihydroxychalcone, bis(trifluoroacetate)
SpectraBase Compound ID Kt3crvyt467
InChI InChI=1S/C19H10F6O5/c20-18(21,22)16(27)29-12-7-8-13(15(10-12)30-17(28)19(23,24)25)14(26)9-6-11-4-2-1-3-5-11/h1-10H/b9-6+
InChIKey BVAVJAUPBLPOKY-RMKNXTFCSA-N
Mol Weight 432.27 g/mol
Molecular Formula C19H10F6O5
Exact Mass 432.043242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3JmFaJ2Haln
Name 2',4'-Dihydroxychalcone, bis(trifluoroacetate)
Comments Computed using HOSE algorithm
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Exact Mass 432.043242395 u
Formula C19H10F6O5
InChI InChI=1S/C19H10F6O5/c20-18(21,22)16(27)29-12-7-8-13(15(10-12)30-17(28)19(23,24)25)14(26)9-6-11-4-2-1-3-5-11/h1-10H/b9-6+
InChIKey BVAVJAUPBLPOKY-RMKNXTFCSA-N
Molecular Weight 432.274 g/mol
SMILES C1(=CC=C(C=C1OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)C(\C=C\C1=CC=CC=C1)=O