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(4aS,5R)-3-Methyl-5-(phenylcarbonyl)-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinolino-5-carbonitrile
SpectraBase Compound ID 7ZZ7ertGsa7
InChI InChI=1S/C22H22N2O/c1-16-11-12-24-19-10-6-5-9-18(19)14-22(15-23,20(24)13-16)21(25)17-7-3-2-4-8-17/h2-10,16,20H,11-14H2,1H3/t16?,20-,22-/m0/s1
InChIKey YYHJQADSCWCNKQ-OIGSQQCRSA-N
Mol Weight 330.43 g/mol
Molecular Formula C22H22N2O
Exact Mass 330.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JpHuGelB1CK
Name (4aS,5R)-3-Methyl-5-(phenylcarbonyl)-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinolino-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O
InChI InChI=1S/C22H22N2O/c1-16-11-12-24-19-10-6-5-9-18(19)14-22(15-23,20(24)13-16)21(25)17-7-3-2-4-8-17/h2-10,16,20H,11-14H2,1H3/t16?,20-,22-/m0/s1
InChIKey YYHJQADSCWCNKQ-OIGSQQCRSA-N
Molecular Weight 330.431 g/mol
SMILES [C@]1([C@]2(N(CCC(C2)C)c2c(C1)cccc2)[H])(C(=O)c1ccccc1)C#N
SPLASH splash10-057i-4945000000-7385f31719ef0c360aa8
Source of Spectrum HC-49-742-4d
Synonyms 3-Methyl-5-(phenylcarbonyl)-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinolino-5-carbonitrile (4aS,5R)-5-benzoyl-3-methyl-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinoline-5-carbonitrile
Wiley ID 1739351