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(3aS*,9bS*)-2,3,3a,4,5,9b-Hexahydro-1-(4-methoxybenzyl)-5-(4-toluenesulfonyl)-1H-pyrrololo[3,2-c]quinoline

View entire compound with spectra: 1 MS (GC)

(3aS*,9bS*)-2,3,3a,4,5,9b-Hexahydro-1-(4-methoxybenzyl)-5-(4-toluenesulfonyl)-1H-pyrrololo[3,2-c]quinoline
SpectraBase Compound ID 3C4H03Vkipq
InChI InChI=1S/C26H28N2O3S/c1-19-7-13-23(14-8-19)32(29,30)28-18-21-15-16-27(17-20-9-11-22(31-2)12-10-20)26(21)24-5-3-4-6-25(24)28/h3-14,21,26H,15-18H2,1-2H3/t21-,26-/m0/s1
InChIKey SWLQRSAYOJOHLK-LVXARBLLSA-N
Mol Weight 448.58 g/mol
Molecular Formula C26H28N2O3S
Exact Mass 448.182064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FdhGJN3G3e
Name (3aS*,9bS*)-2,3,3a,4,5,9b-Hexahydro-1-(4-methoxybenzyl)-5-(4-toluenesulfonyl)-1H-pyrrololo[3,2-c]quinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28N2O3S
InChI InChI=1S/C26H28N2O3S/c1-19-7-13-23(14-8-19)32(29,30)28-18-21-15-16-27(17-20-9-11-22(31-2)12-10-20)26(21)24-5-3-4-6-25(24)28/h3-14,21,26H,15-18H2,1-2H3/t21-,26-/m0/s1
InChIKey SWLQRSAYOJOHLK-LVXARBLLSA-N
Molecular Weight 448.581 g/mol
SMILES c12N(S(c3ccc(cc3)C)(=O)=O)C[C@@]3(CCN([C@@]3(c1cccc2)[H])Cc1ccc(cc1)OC)[H]
SPLASH splash10-0002-0001900000-a6fc7b990601e6a62d80
Source of Spectrum KC-57-4101-18
Wiley ID 1624060