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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
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 93F8niYuLEt
Name (3as*,9bs*)-2,3,3A,4,5,9B-Hexahydro-1-(4-methoxybenzyl)-5-(4-toluenesulfonyl)-1H-pyrrololo[3,2-C]quinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.182063941 u
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 C1=2N(S(C3=CC=C(C=C3)C)(=O)=O)C[C@@]3(CCN([C@@]3(C1=CC=CC2)[H])CC1=CC=C(C=C1)OC)[H]