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4.beta.-Propionyl-3.alpha.-p-tolyl-6-azabicyclo[3.2.2]nonane
SpectraBase Compound ID GjroykXQy1z
InChI InChI=1S/C18H25NO/c1-3-17(20)18-15(14-7-4-12(2)5-8-14)10-13-6-9-16(18)19-11-13/h4-5,7-8,13,15-16,18-19H,3,6,9-11H2,1-2H3/t13-,15-,16+,18-/m0/s1
InChIKey XDLOBQBVSNOHRE-SCNOPHJPSA-N
Mol Weight 271.4 g/mol
Molecular Formula C18H25NO
Exact Mass 271.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1sQwOq9cNmb
Name 4.beta.-Propionyl-3.alpha.-p-tolyl-6-azabicyclo[3.2.2]nonane
Alternate Name(s) 1-[3-(4-methylphenyl)-6-azabicyclo[3.2.2]non-4-yl]-1-propanone 1-[3-(4-methylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]-1-propanone 1-[3-(4-methylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C18H25NO
InChI InChI=1S/C18H25NO/c1-3-17(20)18-15(14-7-4-12(2)5-8-14)10-13-6-9-16(18)19-11-13/h4-5,7-8,13,15-16,18-19H,3,6,9-11H2,1-2H3/t13-,15-,16+,18-/m0/s1
InChIKey XDLOBQBVSNOHRE-SCNOPHJPSA-N
Molecular Weight 271.404 g/mol
SMILES N1C[C@@]2(C[C@]([C@@]([C@]1(CC2)[H])(C(=O)CC)[H])(c1ccc(cc1)C)[H])[H]
SPLASH splash10-03di-0090000000-cd37ce8b80135c85f772
Source of Spectrum J-66-7901-12
Wiley ID 1568465