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(4aS,5R)-5-(Phenylcarbonyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinolino-5-carbo-nitrile
SpectraBase Compound ID I6WtEDe2aNX
InChI InChI=1S/C22H19F3N2O/c23-22(24,25)17-9-10-18-16(12-17)13-21(14-26,19-8-4-5-11-27(18)19)20(28)15-6-2-1-3-7-15/h1-3,6-7,9-10,12,19H,4-5,8,11,13H2/t19-,21-/m0/s1
InChIKey UJLUISWCZUDPJI-FPOVZHCZSA-N
Mol Weight 384.4 g/mol
Molecular Formula C22H19F3N2O
Exact Mass 384.144948 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTlaZhPiEhe
Name (4aS,5R)-5-(Phenylcarbonyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinolino-5-carbo-nitrile
Alternate Name(s) 5-(Phenylcarbonyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinolino-5-carbo-nitrile (4aS,5R)-5-benzoyl-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinoline-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19F3N2O
InChI InChI=1S/C22H19F3N2O/c23-22(24,25)17-9-10-18-16(12-17)13-21(14-26,19-8-4-5-11-27(18)19)20(28)15-6-2-1-3-7-15/h1-3,6-7,9-10,12,19H,4-5,8,11,13H2/t19-,21-/m0/s1
InChIKey UJLUISWCZUDPJI-FPOVZHCZSA-N
Molecular Weight 384.402 g/mol
SMILES [C@]1([C@]2(N(CCCC2)c2c(C1)cc(C(F)(F)F)cc2)[H])(C(=O)c1ccccc1)C#N
SPLASH splash10-056r-5975000000-dc68de7f51fbb2647a45
Source of Spectrum HC-49-743-4i
Wiley ID 1739349