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Benzo[f]quinoline, 3-(chloromethyl)-1,2,3,4,4a,5,6,10b-octahydro-8-methoxy-4-[(4-methylphenyl)sulfonyl]-, (3.alpha.,4a.beta.,10b.beta.)-
SpectraBase Compound ID 6VgQ5djdoIZ
InChI InChI=1S/C22H26ClNO3S/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/h3-4,7-9,11,13,17,21-22H,5-6,10,12,14H2,1-2H3/t17-,21-,22-/m1/s1
InChIKey XBHOXJJGDSBRHO-ZPMCFJSWSA-N
Mol Weight 419.97 g/mol
Molecular Formula C22H26ClNO3S
Exact Mass 419.132193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNLPuS3mEFX
Name Benzo[f]quinoline, 3-(chloromethyl)-1,2,3,4,4a,5,6,10b-octahydro-8-methoxy-4-[(4-methylphenyl)sulfonyl]-, (3.alpha.,4a.beta.,10b.beta.)-
CAS Registry Number 36969-03-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26ClNO3S
InChI InChI=1S/C22H26ClNO3S/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/h3-4,7-9,11,13,17,21-22H,5-6,10,12,14H2,1-2H3/t17-,21-,22-/m1/s1
InChIKey XBHOXJJGDSBRHO-ZPMCFJSWSA-N
Molecular Weight 419.967 g/mol
SMILES [C@@]12(N(S(c3ccc(cc3)C)(=O)=O)[C@](CC[C@@]1(c1ccc(cc1CC2)OC)[H])(CCl)[H])[H]
SPLASH splash10-0006-9030000000-3b1bb21532e912446dcc
Source of Spectrum F-34-1029-0
Synonyms (3R,4aR,10bR)-3-(chloromethyl)-4-[(4-methylphenyl)sulfonyl]-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-8-yl methyl ether (3R,4aR,10bR)-3-(chloromethyl)-8-methoxy-4-[(4-methylphenyl)sulfonyl]-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline N-tosyl-3.alpha.-chloromethyl-8-methoxy-1,2,3,4,4a,5,6,10b-acetahydrobenzo[f]quinoline
Wiley ID 1377584