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(3aS*,9bS*)-2,3,3a,4,5,9b-Hexahydro-5-(4-toluenesulfonyl)-1H-pyrrololo[3,2-c]quinoline
SpectraBase Compound ID GsWvUXxYfU7
InChI InChI=1S/C18H20N2O2S/c1-13-6-8-15(9-7-13)23(21,22)20-12-14-10-11-19-18(14)16-4-2-3-5-17(16)20/h2-9,14,18-19H,10-12H2,1H3/t14-,18-/m0/s1
InChIKey UNXCFDIFEMNNKE-KSSFIOAISA-N
Mol Weight 328.43 g/mol
Molecular Formula C18H20N2O2S
Exact Mass 328.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOzMxgFN9iz
Name (3aS*,9bS*)-2,3,3a,4,5,9b-Hexahydro-5-(4-toluenesulfonyl)-1H-pyrrololo[3,2-c]quinoline
Comments Removed - expert review: contamination (chloroform))
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N2O2S
InChI InChI=1S/C18H20N2O2S/c1-13-6-8-15(9-7-13)23(21,22)20-12-14-10-11-19-18(14)16-4-2-3-5-17(16)20/h2-9,14,18-19H,10-12H2,1H3/t14-,18-/m0/s1
InChIKey UNXCFDIFEMNNKE-KSSFIOAISA-N
Molecular Weight 328.430 g/mol
SMILES N1CC[C@@]2([C@]1(c1c(N(C2)S(c2ccc(cc2)C)(=O)=O)cccc1)[H])[H]
SPLASH splash10-001r-9200000000-49938530bf07f7028d0c
Source of Spectrum KC-57-4101-19
Wiley ID 1624059