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(S)-8-Chloro-4-(4-phenylthiazol-2-yl)-1,2,3,3a,4,5-hexahydro-1H-pyrrolo[1,2-a]quinolin-4-carbonitrile
SpectraBase Compound ID 7r27qO0zPyp
InChI InChI=1S/C22H18ClN3S/c23-17-9-8-16-12-22(14-24,20-7-4-10-26(20)19(16)11-17)21-25-18(13-27-21)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,13,20H,4,7,10,12H2/t20-,22?/m0/s1
InChIKey CKFMAAXRPIOORA-AIBWNMTMSA-N
Mol Weight 391.92 g/mol
Molecular Formula C22H18ClN3S
Exact Mass 391.090996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IsVPnTOBFYR
Name (S)-8-Chloro-4-(4-phenylthiazol-2-yl)-1,2,3,3a,4,5-hexahydro-1H-pyrrolo[1,2-a]quinolin-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18ClN3S
InChI InChI=1S/C22H18ClN3S/c23-17-9-8-16-12-22(14-24,20-7-4-10-26(20)19(16)11-17)21-25-18(13-27-21)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,13,20H,4,7,10,12H2/t20-,22?/m0/s1
InChIKey CKFMAAXRPIOORA-AIBWNMTMSA-N
Molecular Weight 391.920 g/mol
SMILES C1(c2nc(-c3ccccc3)cs2)([C@]2(N(CCC2)c2c(C1)ccc(c2)Cl)[H])C#N
SPLASH splash10-03di-0911000000-b9dc25c970006b1b9291
Source of Spectrum HC-50-1453-2d
Synonyms 8-Chloro-4-(4-phenylthiazol-2-yl)-1,2,3,3a,4,5-hexahydro-1''-pyrrolo[1,2-a]quinolin-4-carbonitrile (3aS)-8-chloro-4-(4-phenylthiazol-2-yl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carbonitrile
Wiley ID 1739893