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(3aS*,9bS*)-1-Benzyl-2,3,3a,4,5,9b-hexahydro-5-(4-toluenesulfonyl)-1H-pyrrololo[3,2-c]quinoline
SpectraBase Compound ID KsIIhhn8F6
InChI InChI=1S/C25H26N2O2S/c1-19-11-13-22(14-12-19)30(28,29)27-18-21-15-16-26(17-20-7-3-2-4-8-20)25(21)23-9-5-6-10-24(23)27/h2-14,21,25H,15-18H2,1H3/t21-,25-/m0/s1
InChIKey BCDDZWWVWDJPSH-OFVILXPXSA-N
Mol Weight 418.56 g/mol
Molecular Formula C25H26N2O2S
Exact Mass 418.171499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cxn2xLF15n2
Name (3aS*,9bS*)-1-Benzyl-2,3,3a,4,5,9b-hexahydro-5-(4-toluenesulfonyl)-1H-pyrrololo[3,2-c]quinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26N2O2S
InChI InChI=1S/C25H26N2O2S/c1-19-11-13-22(14-12-19)30(28,29)27-18-21-15-16-26(17-20-7-3-2-4-8-20)25(21)23-9-5-6-10-24(23)27/h2-14,21,25H,15-18H2,1H3/t21-,25-/m0/s1
InChIKey BCDDZWWVWDJPSH-OFVILXPXSA-N
Molecular Weight 418.555 g/mol
SMILES c12N(S(c3ccc(cc3)C)(=O)=O)C[C@@]3(CCN([C@@]3(c1cccc2)[H])Cc1ccccc1)[H]
SPLASH splash10-02tc-7070900000-d3d7156424da8d6744eb
Source of Spectrum KC-57-4100-17
Wiley ID 1624061