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Pyrido[4,3-b]indole, 1,2,3,4,4a,9b-hexahydro-2,8-dimethyl-5-(4-methylbenzoyl)-
SpectraBase Compound ID EaqlpuPxdC3
InChI InChI=1S/C21H24N2O/c1-14-4-7-16(8-5-14)21(24)23-19-9-6-15(2)12-17(19)18-13-22(3)11-10-20(18)23/h4-9,12,18,20H,10-11,13H2,1-3H3/t18-,20-/m0/s1
InChIKey CMQKORYZVNPMIX-ICSRJNTNSA-N
Mol Weight 320.44 g/mol
Molecular Formula C21H24N2O
Exact Mass 320.188863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKAoaNMAPQE
Name Pyrido[4,3-b]indole, 1,2,3,4,4a,9b-hexahydro-2,8-dimethyl-5-(4-methylbenzoyl)-
Alternate Name(s) 2,8-Dimethyl-5-(4-methylbenzoyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole [(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-(4-methylphenyl)methanone [(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-(p-tolyl)methanone [(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrid[4,3-b]indol-5-yl]-(p-tolyl)methanone
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Formula C21H24N2O
InChI InChI=1S/C21H24N2O/c1-14-4-7-16(8-5-14)21(24)23-19-9-6-15(2)12-17(19)18-13-22(3)11-10-20(18)23/h4-9,12,18,20H,10-11,13H2,1-3H3/t18-,20-/m0/s1
InChIKey CMQKORYZVNPMIX-ICSRJNTNSA-N
Molecular Weight 320.436 g/mol
SMILES Cc1ccc(C(N2[C@@]3([C@](CN(CC3)C)([H])c3c2ccc(C)c3)[H])=O)cc1
SPLASH splash10-0a4l-9210000000-a3c2dd68a199764d54f5
Source of Spectrum AD-0-2532-0
Wiley ID 1426253