For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(3aS,9bS)-5-(4-methylphenyl)sulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinoline-8-carboxylic acid methyl ester
SpectraBase Compound ID 8NwPAySQRqq
InChI InChI=1S/C20H22N2O4S/c1-13-3-6-16(7-4-13)27(24,25)22-12-15-9-10-21-19(15)17-11-14(20(23)26-2)5-8-18(17)22/h3-8,11,15,19,21H,9-10,12H2,1-2H3/t15-,19-/m0/s1
InChIKey SPUCUXKCNXGWFI-KXBFYZLASA-N
Mol Weight 386.47 g/mol
Molecular Formula C20H22N2O4S
Exact Mass 386.130028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 58Bbyzib3Le
Name (3aS,9bS)-5-(4-methylphenyl)sulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinoline-8-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O4S
InChI InChI=1S/C20H22N2O4S/c1-13-3-6-16(7-4-13)27(24,25)22-12-15-9-10-21-19(15)17-11-14(20(23)26-2)5-8-18(17)22/h3-8,11,15,19,21H,9-10,12H2,1-2H3/t15-,19-/m0/s1
InChIKey SPUCUXKCNXGWFI-KXBFYZLASA-N
Molecular Weight 386.466 g/mol
SMILES N1CC[C@@]2([C@]1(c1c(N(C2)S(c2ccc(cc2)C)(=O)=O)ccc(c1)C(=O)OC)[H])[H]
SPLASH splash10-0a7i-2940000000-ec67ab39e943ac1c020c
Source of Spectrum KC-57-4104-31
Synonyms (3aS,9bS)-5-tosyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinoline-8-carboxylic acid methyl ester Methyl (3aS,9bS)-5-(4-methylphenyl)sulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinoline-8-carboxylate Methyl (3aS,9bS)-5-(p-tolylsulfonyl)-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinoline-8-carboxylate
Wiley ID 1624048