(3aS*,9bS*)-1-Benzyl-8-bromo-2,3,3a,4,5,9b-hexahydro-5-(4-toluenesulfonyl)-1H-pyrrolo[3,2-c]quinoline

SpectraBase Compound ID	JTFZBkqI0au
InChI	InChI=1S/C25H25BrN2O2S/c1-18-7-10-22(11-8-18)31(29,30)28-17-20-13-14-27(16-19-5-3-2-4-6-19)25(20)23-15-21(26)9-12-24(23)28/h2-12,15,20,25H,13-14,16-17H2,1H3/t20-,25-/m0/s1
InChIKey	TWKWQOPSOLBDPG-CPJSRVTESA-N Google Search
Mol Weight	497.45 g/mol
Molecular Formula	C25H25BrN2O2S
Exact Mass	496.082012 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	AJ8tL7kKfQU
Name	(3aS,9bS)-1-Benzyl-8-bromo-2,3,3a,4,5,9b-hexahydro-5-(4-toluenesulfonyl)-1H-pyrrolo[3,2-c]quinoline
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H25BrN2O2S
InChI	InChI=1S/C25H25BrN2O2S/c1-18-7-10-22(11-8-18)31(29,30)28-17-20-13-14-27(16-19-5-3-2-4-6-19)25(20)23-15-21(26)9-12-24(23)28/h2-12,15,20,25H,13-14,16-17H2,1H3/t20-,25-/m0/s1
InChIKey	TWKWQOPSOLBDPG-CPJSRVTESA-N
Molecular Weight	497.451 g/mol
SMILES	c12N(S(c3ccc(cc3)C)(=O)=O)C[C@@]3(CCN([C@@]3(c1cc(cc2)Br)[H])Cc1ccccc1)[H]
SPLASH	splash10-0f9i-4910000000-44162181d759ff893912
Source of Spectrum	KC-57-4102-26
Synonyms	(3aS,9bS)-1-benzyl-8-bromo-5-[(4-methylphenyl)sulfonyl]-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline
Wiley ID	1624053