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Benzo[f]quinoline, 3-(chloromethylene)-1,2,3,4,4a,5,6,10b-octahydro-8-methoxy-4-[(4-methylphenyl)sulfonyl]-, (3E,4a.alpha.,10b.alpha.)-
SpectraBase Compound ID 8fPGs1JxmQe
InChI InChI=1S/C22H24ClNO3S/c1-15-3-8-19(9-4-15)28(25,26)24-17(14-23)6-10-21-20-11-7-18(27-2)13-16(20)5-12-22(21)24/h3-4,7-9,11,13-14,21-22H,5-6,10,12H2,1-2H3/b17-14+/t21-,22+/m0/s1
InChIKey UETRATPMTHFSFI-OFCZRXAKSA-N
Mol Weight 417.95 g/mol
Molecular Formula C22H24ClNO3S
Exact Mass 417.116543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjhgPJzP2cg
Name Benzo[f]quinoline, 3-(chloromethylene)-1,2,3,4,4a,5,6,10b-octahydro-8-methoxy-4-[(4-methylphenyl)sulfonyl]-, (3E,4a.alpha.,10b.alpha.)-
CAS Registry Number 67890-65-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24ClNO3S
InChI InChI=1S/C22H24ClNO3S/c1-15-3-8-19(9-4-15)28(25,26)24-17(14-23)6-10-21-20-11-7-18(27-2)13-16(20)5-12-22(21)24/h3-4,7-9,11,13-14,21-22H,5-6,10,12H2,1-2H3/b17-14+/t21-,22+/m0/s1
InChIKey UETRATPMTHFSFI-OFCZRXAKSA-N
Molecular Weight 417.951 g/mol
SMILES [C@@]12(N(S(c3ccc(cc3)C)(=O)=O)\C(CC[C@]1(c1ccc(cc1CC2)OC)[H])=C/Cl)[H]
SPLASH splash10-0006-9000000000-1faec435b091d2799484
Source of Spectrum F-34-1029-0
Synonyms (3E,4aR,10bS)-3-(chloromethylene)-4-[(4-methylphenyl)sulfonyl]-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-8-yl methyl ether (3E,4aR,10bS)-3-(chloromethylene)-8-methoxy-4-[(4-methylphenyl)sulfonyl]-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline N-tosyl-3-chloromethylene-8-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo(f)quinaline
Wiley ID 1376821