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5-(4-Methoxyphenyl)-2,3-bis[4-(trifluoromethyl)phenyl]-1H-inden-1-one
SpectraBase Compound ID Ky9IdmqJh68
InChI InChI=1S/C30H18F6O2/c1-38-23-13-6-17(7-14-23)20-8-15-24-25(16-20)26(18-2-9-21(10-3-18)29(31,32)33)27(28(24)37)19-4-11-22(12-5-19)30(34,35)36/h2-16H,1H3
InChIKey LGXAAICDFJBNMI-UHFFFAOYSA-N
Mol Weight 524.46 g/mol
Molecular Formula C30H18F6O2
Exact Mass 524.121099 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3O8xNFRI7AI
Name 5-(4-Methoxyphenyl)-2,3-bis[4-(trifluoromethyl)phenyl]-1H-inden-1-one
Alternate Name(s) 5-(4-methoxyphenyl)-2,3-bis[4-(trifluoromethyl)phenyl]-1-indenone
Comments Less than 3 mono-isotopic peaks
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Formula C30H18F6O2
InChI InChI=1S/C30H18F6O2/c1-38-23-13-6-17(7-14-23)20-8-15-24-25(16-20)26(18-2-9-21(10-3-18)29(31,32)33)27(28(24)37)19-4-11-22(12-5-19)30(34,35)36/h2-16H,1H3
InChIKey LGXAAICDFJBNMI-UHFFFAOYSA-N
Molecular Weight 524.462 g/mol
SMILES C1(=C(c2cc(-c3ccc(cc3)OC)ccc2C1=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
SPLASH splash10-00di-0000090000-9a8e6ece7ba6515612b2
Source of Spectrum U1-2011-4220-9b
Wiley ID 1665728