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3-[(4-Bromophenyl)(4-chloro-2,3,5,6-tetrafluorophenylamino)methyl]but-3-en-2-one
SpectraBase Compound ID 8FwHCmsH8HQ
InChI InChI=1S/C17H11BrClF4NO/c1-7(8(2)25)16(9-3-5-10(18)6-4-9)24-17-14(22)12(20)11(19)13(21)15(17)23/h3-6,16,24H,1H2,2H3
InChIKey XSLCHIWSSZOCDL-UHFFFAOYSA-N
Mol Weight 436.63 g/mol
Molecular Formula C17H11BrClF4NO
Exact Mass 434.964867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSVLI60U3QL
Name 3-[(4-Bromophenyl)(4-chloro-2,3,5,6-tetrafluorophenylamino)methyl]but-3-en-2-one
Alternate Name(s) 3-[(4-bromophenyl)(4-chloro-2,3,5,6-tetrafluoroanilino)methyl]-3-buten-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C17H11BrClF4NO
InChI InChI=1S/C17H11BrClF4NO/c1-7(8(2)25)16(9-3-5-10(18)6-4-9)24-17-14(22)12(20)11(19)13(21)15(17)23/h3-6,16,24H,1H2,2H3
InChIKey XSLCHIWSSZOCDL-UHFFFAOYSA-N
Molecular Weight 436.632 g/mol
SMILES N(C(C(C(C)=O)=C)c1ccc(cc1)Br)c1c(c(c(c(c1F)F)Cl)F)F
SPLASH splash10-0006-9000000000-f3047218959c82a995b9
Source of Spectrum KC-61-3847-2
Wiley ID 1628664