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N-{-[.alpha.-(Isopropylcarbonyl)methyl]benzyl}-3-chloroaniline
SpectraBase Compound ID DIaPfHvFOLQ
InChI InChI=1S/C18H20ClNO/c1-13(2)18(21)12-17(14-7-4-3-5-8-14)20-16-10-6-9-15(19)11-16/h3-11,13,17,20H,12H2,1-2H3
InChIKey AJFODXSLXVAGDP-UHFFFAOYSA-N
Mol Weight 301.82 g/mol
Molecular Formula C18H20ClNO
Exact Mass 301.123342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6A8UTjnb8b
Name N-{-[.alpha.-(Isopropylcarbonyl)methyl]benzyl}-3-chloroaniline
Alternate Name(s) 1-(3-chloroanilino)-4-methyl-1-phenyl-3-pentanone
Comments Less than 3 mono-isotopic peaks
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Formula C18H20ClNO
InChI InChI=1S/C18H20ClNO/c1-13(2)18(21)12-17(14-7-4-3-5-8-14)20-16-10-6-9-15(19)11-16/h3-11,13,17,20H,12H2,1-2H3
InChIKey AJFODXSLXVAGDP-UHFFFAOYSA-N
Molecular Weight 301.817 g/mol
SMILES N(C(CC(=O)C(C)C)c1ccccc1)c1cc(Cl)ccc1
SPLASH splash10-014i-0091000000-26ab337395191dd3b9f2
Source of Spectrum OP-26-620-4
Wiley ID 850691