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N-{-[.alpha.-(Isopropylcarbonyl)methyl]benzyl}-4-bromoaniline
SpectraBase Compound ID EQ8ZCVWE6Mz
InChI InChI=1S/C18H20BrNO/c1-13(2)18(21)12-17(14-6-4-3-5-7-14)20-16-10-8-15(19)9-11-16/h3-11,13,17,20H,12H2,1-2H3
InChIKey LJWZDJXCMKOIGX-UHFFFAOYSA-N
Mol Weight 346.27 g/mol
Molecular Formula C18H20BrNO
Exact Mass 345.072827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTVPH8YAESl
Name N-{-[.alpha.-(Isopropylcarbonyl)methyl]benzyl}-4-bromoaniline
Alternate Name(s) 1-(4-bromoanilino)-4-methyl-1-phenyl-3-pentanone
Comments Less than 3 mono-isotopic peaks
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Formula C18H20BrNO
InChI InChI=1S/C18H20BrNO/c1-13(2)18(21)12-17(14-6-4-3-5-7-14)20-16-10-8-15(19)9-11-16/h3-11,13,17,20H,12H2,1-2H3
InChIKey LJWZDJXCMKOIGX-UHFFFAOYSA-N
Molecular Weight 346.268 g/mol
SMILES N(C(CC(=O)C(C)C)c1ccccc1)c1ccc(cc1)Br
SPLASH splash10-03di-0091000000-2076f55948379604483e
Source of Spectrum OP-26-620-4
Wiley ID 850695