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(4aS,8aS,10aR)-7-methyl-1-[(4-methylphenyl)sulfonyl]-2,3,5,8,8a,9,10,10a-octahydroindeno[1,7a-b]pyridin-4(1H)-one
SpectraBase Compound ID Buwmhh37rCh
InChI InChI=1S/C20H25NO3S/c1-14-3-6-17(7-4-14)25(23,24)21-12-10-19(22)20-11-9-15(2)13-16(20)5-8-18(20)21/h3-4,6-7,9,16,18H,5,8,10-13H2,1-2H3/t16-,18+,20-/m0/s1
InChIKey SDCBMJZQLASJJA-HQRMLTQVSA-N
Mol Weight 359.48 g/mol
Molecular Formula C20H25NO3S
Exact Mass 359.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZLnYZhzpED
Name (4aS,8aS,10aR)-7-methyl-1-[(4-methylphenyl)sulfonyl]-2,3,5,8,8a,9,10,10a-octahydroindeno[1,7a-b]pyridin-4(1H)-one
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Formula C20H25NO3S
InChI InChI=1S/C20H25NO3S/c1-14-3-6-17(7-4-14)25(23,24)21-12-10-19(22)20-11-9-15(2)13-16(20)5-8-18(20)21/h3-4,6-7,9,16,18H,5,8,10-13H2,1-2H3/t16-,18+,20-/m0/s1
InChIKey SDCBMJZQLASJJA-HQRMLTQVSA-N
Molecular Weight 359.484 g/mol
SMILES [C@@]12(N(S(c3ccc(cc3)C)(=O)=O)CCC([C@@]11[C@](CC(=CC1)C)(CC2)[H])=O)[H]
SPLASH splash10-0002-3930000000-8abba4638965fe39ef68
Source of Spectrum F5-6-3131-28
Synonyms 7-Methyl-1-tosyl-1,2,3,4,5,8,8a,9,10,10a-decahydro-indeno[1,7a-b]pyridin-4-one (4aR,6aS,10aS)-8-methyl-4-tosyl-2,3,4,4a,5,6,6a,7-octahydroindeno[1,7a-b]pyridin-1(10H)-one
Wiley ID 1733567