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

View entire compound with spectra: 1 NMR

2'-Hydroxy-3',4,5'-trichlorochalcone, pentafluoropropionate
SpectraBase Compound ID 8xqCamW77ao
InChI InChI=1S/C18H8Cl3F5O3/c19-10-4-1-9(2-5-10)3-6-14(27)12-7-11(20)8-13(21)15(12)29-16(28)17(22,23)18(24,25)26/h1-8H/b6-3+
InChIKey UJDZGMWRPFGATL-ZZXKWVIFSA-N
Mol Weight 473.61 g/mol
Molecular Formula C18H8Cl3F5O3
Exact Mass 471.945918 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JjgSS5kMqbd
Name 2'-Hydroxy-3',4,5'-trichlorochalcone, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 471.945918030 u
Formula C18H8Cl3F5O3
InChI InChI=1S/C18H8Cl3F5O3/c19-10-4-1-9(2-5-10)3-6-14(27)12-7-11(20)8-13(21)15(12)29-16(28)17(22,23)18(24,25)26/h1-8H/b6-3+
InChIKey UJDZGMWRPFGATL-ZZXKWVIFSA-N
Molecular Weight 473.610 g/mol
SMILES C1(=CC(=CC(=C1OC(C(C(F)(F)F)(F)F)=O)Cl)Cl)C(\C=C\C1=CC=C(C=C1)Cl)=O