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(3aS,9bS)-1-methyl-5-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-8-carboxylic acid methyl ester
SpectraBase Compound ID GLRzMFnGHZd
InChI InChI=1S/C21H24N2O4S/c1-14-4-7-17(8-5-14)28(25,26)23-13-16-10-11-22(2)20(16)18-12-15(21(24)27-3)6-9-19(18)23/h4-9,12,16,20H,10-11,13H2,1-3H3/t16-,20-/m0/s1
InChIKey FTDOZWMTUXHLOM-JXFKEZNVSA-N
Mol Weight 400.49 g/mol
Molecular Formula C21H24N2O4S
Exact Mass 400.145678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GoKkYg35F6i
Name (3aS,9bS)-1-methyl-5-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-8-carboxylic acid methyl ester
Alternate Name(s) (3aS,9bS)-1-methyl-5-tosyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-8-carboxylic acid methyl ester Methyl (3aS,9bS)-1-methyl-5-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-8-carboxylate Methyl (3aS,9bS)-1-methyl-5-(p-tolylsulfonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-8-carboxylate
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Formula C21H24N2O4S
InChI InChI=1S/C21H24N2O4S/c1-14-4-7-17(8-5-14)28(25,26)23-13-16-10-11-22(2)20(16)18-12-15(21(24)27-3)6-9-19(18)23/h4-9,12,16,20H,10-11,13H2,1-3H3/t16-,20-/m0/s1
InChIKey FTDOZWMTUXHLOM-JXFKEZNVSA-N
Molecular Weight 400.493 g/mol
SMILES c12N(S(c3ccc(cc3)C)(=O)=O)C[C@]3([C@@](c1cc(cc2)C(=O)OC)(N(CC3)C)[H])[H]
SPLASH splash10-01ot-0090000000-7d5a23df5308912e9a0f
Source of Spectrum KC-57-4103-28
Wiley ID 1624051