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(2S*,5S*)-2,5-Dimethyl-1-(toluene-4-sulfonyl)-1,2,3,4,5,6-hexahydro[1]pyridine-7-one
SpectraBase Compound ID 8C0PDAeyxas
InChI InChI=1S/C17H21NO3S/c1-11-4-7-14(8-5-11)22(20,21)18-13(3)6-9-15-12(2)10-16(19)17(15)18/h4-5,7-8,12-13H,6,9-10H2,1-3H3/t12-,13-/m0/s1
InChIKey DKZSNVNXDZELAA-STQMWFEESA-N
Mol Weight 319.42 g/mol
Molecular Formula C17H21NO3S
Exact Mass 319.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEGIhOFLoXo
Name (2S*,5S*)-2,5-Dimethyl-1-(toluene-4-sulfonyl)-1,2,3,4,5,6-hexahydro[1]pyridine-7-one
Comments Less than 3 mono-isotopic peaks
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Formula C17H21NO3S
InChI InChI=1S/C17H21NO3S/c1-11-4-7-14(8-5-11)22(20,21)18-13(3)6-9-15-12(2)10-16(19)17(15)18/h4-5,7-8,12-13H,6,9-10H2,1-3H3/t12-,13-/m0/s1
InChIKey DKZSNVNXDZELAA-STQMWFEESA-N
Molecular Weight 319.419 g/mol
SMILES C=12N(S(c3ccc(cc3)C)(=O)=O)[C@](CCC1[C@@](C)(CC2=O)[H])(C)[H]
SPLASH splash10-0006-9005000000-dce095b3f8abf585c96e
Source of Spectrum F-68-9738-47
Synonyms (2S,5S)-2,5-dimethyl-1-(p-tolylsulfonyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyridin-7-one (2S,5S)-2,5-dimethyl-1-(4-methylphenyl)sulfonyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyridin-7-one
Wiley ID 1573895