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4-(2-Chloro-phenyl)-2-mercapto-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carbonitrile

View entire compound with spectra: 1 MS (GC)

4-(2-Chloro-phenyl)-2-mercapto-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carbonitrile
SpectraBase Compound ID C4Cq63ktFES
InChI InChI=1S/C16H13ClN2OS.C5H11N/c17-11-5-2-1-4-9(11)14-10(8-18)16(21)19-12-6-3-7-13(20)15(12)14;1-2-4-6-5-3-1/h1-2,4-5,14,19,21H,3,6-7H2;6H,1-5H2
InChIKey SNVYQOFXJCQOJI-UHFFFAOYSA-N
Mol Weight 401.96 g/mol
Molecular Formula C21H24ClN3OS
Exact Mass 401.132861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rWgj8k1I0O
Name 4-(2-Chloro-phenyl)-2-mercapto-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24ClN3OS
InChI InChI=1S/C16H13ClN2OS.C5H11N/c17-11-5-2-1-4-9(11)14-10(8-18)16(21)19-12-6-3-7-13(20)15(12)14;1-2-4-6-5-3-1/h1-2,4-5,14,19,21H,3,6-7H2;6H,1-5H2
InChIKey SNVYQOFXJCQOJI-UHFFFAOYSA-N
Molecular Weight 401.956 g/mol
SMILES N1C(=C(C(C2=C1CCCC2=O)c1ccccc1Cl)C#N)S.N1CCCCC1
SPLASH splash10-0543-9210000000-08a96064db4632e90757
Synonyms 4-(2-Chlorophenyl)-5-oxo-2-sulfanyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile compound with piperidine (1:1)
Wiley ID 1446964