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2-[(4-Bromophenyl)(2,3,4,5-tetrafluoro-6-nitrophenylamino)methyl]but-3-en-2-one
SpectraBase Compound ID LbfAenbHfOl
InChI InChI=1S/C17H11BrF4N2O3/c1-7(8(2)25)15(9-3-5-10(18)6-4-9)23-16-13(21)11(19)12(20)14(22)17(16)24(26)27/h3-6,15,23H,1H2,2H3
InChIKey TUXWTUARVIZRKI-UHFFFAOYSA-N
Mol Weight 447.18 g/mol
Molecular Formula C17H11BrF4N2O3
Exact Mass 445.988918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JqbFyhVYaQu
Name 2-[(4-Bromophenyl)(2,3,4,5-tetrafluoro-6-nitrophenylamino)methyl]but-3-en-2-one
Alternate Name(s) 3-[(4-bromophenyl)(2,3,4,5-tetrafluoro-6-nitroanilino)methyl]-3-buten-2-one
Comments Removed - expert review: contamination (acetone))
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Formula C17H11BrF4N2O3
InChI InChI=1S/C17H11BrF4N2O3/c1-7(8(2)25)15(9-3-5-10(18)6-4-9)23-16-13(21)11(19)12(20)14(22)17(16)24(26)27/h3-6,15,23H,1H2,2H3
InChIKey TUXWTUARVIZRKI-UHFFFAOYSA-N
Molecular Weight 447.184 g/mol
SMILES N(c1c(c(c(c(F)c1F)F)F)N(=O)=O)C(C(C(=O)C)=C)c1ccc(cc1)Br
SPLASH splash10-0006-9000000000-ad7ccef3bbcd29b7933a
Source of Spectrum KC-61-3850-7
Wiley ID 1628648