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2'-Hydroxy-3',4,5'-trichlorochalcone, trifluoroacetate

View entire compound with spectra: 1 NMR

2'-Hydroxy-3',4,5'-trichlorochalcone, trifluoroacetate
SpectraBase Compound ID A1J4DYvdB6u
InChI InChI=1S/C17H8Cl3F3O3/c18-10-4-1-9(2-5-10)3-6-14(24)12-7-11(19)8-13(20)15(12)26-16(25)17(21,22)23/h1-8H/b6-3+
InChIKey LTUPVKHRNCZYAA-ZZXKWVIFSA-N
Mol Weight 423.6 g/mol
Molecular Formula C17H8Cl3F3O3
Exact Mass 421.949112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4L3DNCPwXgZ
Name 2'-Hydroxy-3',4,5'-trichlorochalcone, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 421.949111704 u
Formula C17H8Cl3F3O3
InChI InChI=1S/C17H8Cl3F3O3/c18-10-4-1-9(2-5-10)3-6-14(24)12-7-11(19)8-13(20)15(12)26-16(25)17(21,22)23/h1-8H/b6-3+
InChIKey LTUPVKHRNCZYAA-ZZXKWVIFSA-N
Molecular Weight 423.602 g/mol
SMILES C1(=CC(=CC(=C1OC(C(F)(F)F)=O)Cl)Cl)C(\C=C\C1=CC=C(C=C1)Cl)=O