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2-[(3-cyano-4-p-cumenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-phenyl-acetamide
SpectraBase Compound ID C7JHs35AaXF
InChI InChI=1S/C27H27N3OS/c1-18(2)19-12-14-20(15-13-19)26-22-10-6-7-11-24(22)30-27(23(26)16-28)32-17-25(31)29-21-8-4-3-5-9-21/h3-5,8-9,12-15,18H,6-7,10-11,17H2,1-2H3,(H,29,31)
InChIKey CDCKDRWKHGJVQE-UHFFFAOYSA-N
Mol Weight 441.59 g/mol
Molecular Formula C27H27N3OS
Exact Mass 441.187484 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2i6Qqy3ud6
Name 2-[(3-cyano-4-p-cumenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-phenyl-acetamide
Alternate Name(s) 2-[[3-cyano-4-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-phenyl-ethanamide 2-[[3-cyano-4-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-phenylacetamide 2-[[3-cyano-4-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]-N-phenylacetamide
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Formula C27H27N3OS
InChI InChI=1S/C27H27N3OS/c1-18(2)19-12-14-20(15-13-19)26-22-10-6-7-11-24(22)30-27(23(26)16-28)32-17-25(31)29-21-8-4-3-5-9-21/h3-5,8-9,12-15,18H,6-7,10-11,17H2,1-2H3,(H,29,31)
InChIKey CDCKDRWKHGJVQE-UHFFFAOYSA-N
Molecular Weight 441.593 g/mol
SMILES N(C(CSc1c(c(c2c(CCCC2)n1)-c1ccc(cc1)C(C)C)C#N)=O)c1ccccc1
SPLASH splash10-0092-2598000000-9f5f33e59ee094e3b242
Wiley ID 1453227