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Benzo[f]quinoline, 1,2,3,4,4a,5,6,10b-octahydro-8-methoxy-3-methyl-4-[(4-methylphenyl)su lfonyl]-, (3.alpha.,4a.alpha.,10b.alpha.)-
SpectraBase Compound ID G3rO1sas8hc
InChI InChI=1S/C22H27NO3S/c1-15-4-9-19(10-5-15)27(24,25)23-16(2)6-11-21-20-12-8-18(26-3)14-17(20)7-13-22(21)23/h4-5,8-10,12,14,16,21-22H,6-7,11,13H2,1-3H3/t16-,21-,22+/m1/s1
InChIKey CZKNKHHIKQJYQJ-HVETUWLQSA-N
Mol Weight 385.52 g/mol
Molecular Formula C22H27NO3S
Exact Mass 385.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVK1NJ6dJa
Name Benzo[f]quinoline, 1,2,3,4,4a,5,6,10b-octahydro-8-methoxy-3-methyl-4-[(4-methylphenyl)su lfonyl]-, (3.alpha.,4a.alpha.,10b.alpha.)-
CAS Registry Number 36968-97-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO3S
InChI InChI=1S/C22H27NO3S/c1-15-4-9-19(10-5-15)27(24,25)23-16(2)6-11-21-20-12-8-18(26-3)14-17(20)7-13-22(21)23/h4-5,8-10,12,14,16,21-22H,6-7,11,13H2,1-3H3/t16-,21-,22+/m1/s1
InChIKey CZKNKHHIKQJYQJ-HVETUWLQSA-N
Molecular Weight 385.522 g/mol
SMILES [C@]12(N(S(c3ccc(cc3)C)(=O)=O)[C@@](CC[C@@]1(c1ccc(cc1CC2)OC)[H])(C)[H])[H]
SPLASH splash10-001r-4096000000-8494981604cb71e52d12
Source of Spectrum F-34-1030-0
Synonyms (3R,4aS,10bR)-3-methyl-4-[(4-methylphenyl)sulfonyl]-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-8-yl methyl ether (3R,4aS,10bR)-8-methoxy-3-methyl-4-[(4-methylphenyl)sulfonyl]-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline N-tosyl-3.alpha.-methyl-8-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
Wiley ID 1362247