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N-{-[.alpha.-(Isopropylcarbonyl)methyl]benzyl}-4-iodoaniline
SpectraBase Compound ID 70qrw9U6iJb
InChI InChI=1S/C18H20INO/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 JPXUUOOIWIZMGX-UHFFFAOYSA-N
Mol Weight 393.27 g/mol
Molecular Formula C18H20INO
Exact Mass 393.058959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3oH4uqUj6F
Name N-{-[.alpha.-(Isopropylcarbonyl)methyl]benzyl}-4-iodoaniline
Comments Less than 3 mono-isotopic peaks
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Formula C18H20INO
InChI InChI=1S/C18H20INO/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 JPXUUOOIWIZMGX-UHFFFAOYSA-N
Molecular Weight 393.268 g/mol
SMILES N(C(CC(=O)C(C)C)c1ccccc1)c1ccc(cc1)I
SPLASH splash10-0a4i-0009000000-c7f0abd0600302dfa609
Source of Spectrum OP-26-620-4
Synonyms 1-(4-iodoanilino)-4-methyl-1-phenyl-3-pentanone
Wiley ID 850694