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(3S,3aS,6S,6aS)-3-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one
SpectraBase Compound ID 1wW3tTp1q70
InChI InChI=1S/C16H21NO4S/c1-10-3-5-12(6-4-10)22(20,21)17-8-14-11(2)16(19)7-13(14)15(17)9-18/h3-6,11,13-15,18H,7-9H2,1-2H3/t11-,13-,14+,15+/m0/s1
InChIKey FHVPGYXPZAYEJS-SPWCGHHHSA-N
Mol Weight 323.41 g/mol
Molecular Formula C16H21NO4S
Exact Mass 323.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQq1Q4icozw
Name (3S,3aS,6S,6aS)-3-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one
Alternate Name(s) (3S,3aS,6S,6aS)-3-(hydroxymethyl)-6-methyl-2-(p-tolylsulfonyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one (3S,3aS,6S,6aS)-6-methyl-3-methylol-2-tosyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one
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Formula C16H21NO4S
InChI InChI=1S/C16H21NO4S/c1-10-3-5-12(6-4-10)22(20,21)17-8-14-11(2)16(19)7-13(14)15(17)9-18/h3-6,11,13-15,18H,7-9H2,1-2H3/t11-,13-,14+,15+/m0/s1
InChIKey FHVPGYXPZAYEJS-SPWCGHHHSA-N
Molecular Weight 323.407 g/mol
SMILES OC[C@@]1([C@]2(CC([C@]([C@]2(CN1S(c1ccc(cc1)C)(=O)=O)[H])(C)[H])=O)[H])[H]
SPLASH splash10-0006-3490000000-cba06290b83c8baba884
Source of Spectrum J-59-6971-17
Wiley ID 1322361