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(4aS,5R)-3-Benzyl-5-(phenylcarbonyl)-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinolino-5-carbonitrile
SpectraBase Compound ID KLbYGtTsQjO
InChI InChI=1S/C28H26N2O/c29-20-28(27(31)23-11-5-2-6-12-23)19-24-13-7-8-14-25(24)30-16-15-22(18-26(28)30)17-21-9-3-1-4-10-21/h1-14,22,26H,15-19H2/t22?,26-,28-/m0/s1
InChIKey BPVUAANSYZZTMR-NZNGGYBSSA-N
Mol Weight 406.53 g/mol
Molecular Formula C28H26N2O
Exact Mass 406.204513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ads9CrrVJjH
Name (4aS,5R)-3-Benzyl-5-(phenylcarbonyl)-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinolino-5-carbonitrile
Alternate Name(s) 3-Benzyl-5-(phenylcarbonyl)-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinolino-5-carbonitrile (4aS,5R)-5-benzoyl-3-benzyl-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinoline-5-carbonitrile
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Formula C28H26N2O
InChI InChI=1S/C28H26N2O/c29-20-28(27(31)23-11-5-2-6-12-23)19-24-13-7-8-14-25(24)30-16-15-22(18-26(28)30)17-21-9-3-1-4-10-21/h1-14,22,26H,15-19H2/t22?,26-,28-/m0/s1
InChIKey BPVUAANSYZZTMR-NZNGGYBSSA-N
Molecular Weight 406.529 g/mol
SMILES [C@]1([C@]2(N(CCC(C2)Cc2ccccc2)c2c(C1)cccc2)[H])(C(=O)c1ccccc1)C#N
SPLASH splash10-0a4i-9806700000-7386eeb538d883437197
Source of Spectrum HC-49-742-4c
Wiley ID 1739352