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2-(o-bromophenyl)-2-(n-heptafluorobutyryl-methylamino)-cyclohexanone
SpectraBase Compound ID J5BlfiUCLV5
InChI InChI=1S/C17H15BrF7NO2/c1-26(13(28)15(19,20)16(21,22)17(23,24)25)14(9-5-4-8-12(14)27)10-6-2-3-7-11(10)18/h2-3,6-7H,4-5,8-9H2,1H3
InChIKey NLRHPRWLLHRVJS-UHFFFAOYSA-N
Mol Weight 478.2 g/mol
Molecular Formula C17H15BrF7NO2
Exact Mass 477.017439 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKabwIvinF2
Name 2-(o-bromophenyl)-2-(n-heptafluorobutyryl-methylamino)-cyclohexanone
Alternate Name(s) N-[1-(2-bromophenyl)-2-oxocyclohexyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
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Formula C17H15BrF7NO2
InChI InChI=1S/C17H15BrF7NO2/c1-26(13(28)15(19,20)16(21,22)17(23,24)25)14(9-5-4-8-12(14)27)10-6-2-3-7-11(10)18/h2-3,6-7H,4-5,8-9H2,1H3
InChIKey NLRHPRWLLHRVJS-UHFFFAOYSA-N
Molecular Weight 478.205 g/mol
SMILES C(C(C(F)(F)F)(F)F)(C(N(C1(c2c(Br)cccc2)C(=O)CCCC1)C)=O)(F)F
SPLASH splash10-001i-0091200000-f6162312c0e6b25dcedf
Source of Spectrum KO-4-319-3
Wiley ID 1394484