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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.beta.,10b.beta.)-
SpectraBase Compound ID Bb1Tk7Ye5BR
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-URZJWIJPSA-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 3StlbLsfuUY
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.beta.,10b.beta.)-
CAS Registry Number 36968-96-4
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-URZJWIJPSA-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 splash10-000x-9082000000-195479fd0cfb76ba28d9
Source of Spectrum F-34-1030-0
Synonyms (3R,4aR,10bS)-3-methyl-4-[(4-methylphenyl)sulfonyl]-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-8-yl methyl ether (3R,4aR,10bS)-8-methoxy-3-methyl-4-[(4-methylphenyl)sulfonyl]-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline N-tosyl-3.beta.-methyl-8-methoxy-1,2,3,4,5,6,10b-octahydrobenzo[f]quinoline
Wiley ID 1362246