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Benzo[f]quinoline, 3-(chloromethyl)-1,4,4a,5,6,10b-hexahydro-8-methoxy-4-[(4-methylpheny l)sulfonyl]-, cis-
SpectraBase Compound ID Jy6h21uLW7T
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/h3-4,6-9,11,13,21-22H,5,10,12,14H2,1-2H3/t21-,22+/m0/s1
InChIKey KREAKSHBKYZONO-FCHUYYIVSA-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 49BT2i9DCFY
Name Benzo[f]quinoline, 3-(chloromethyl)-1,4,4a,5,6,10b-hexahydro-8-methoxy-4-[(4-methylpheny l)sulfonyl]-, cis-
CAS Registry Number 67839-09-2
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/h3-4,6-9,11,13,21-22H,5,10,12,14H2,1-2H3/t21-,22+/m0/s1
InChIKey KREAKSHBKYZONO-FCHUYYIVSA-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])CCl)[H]
SPLASH splash10-03di-0910200000-49ad9f66ddf72719e75c
Source of Spectrum F-34-1029-0
Synonyms (4aR,10bS)-3-(chloromethyl)-4-[(4-methylphenyl)sulfonyl]-1,4,4a,5,6,10b-hexahydrobenzo[f]quinolin-8-yl methyl ether (4aR,10bS)-3-(chloromethyl)-8-methoxy-4-[(4-methylphenyl)sulfonyl]-1,4,4a,5,6,10b-hexahydrobenzo[f]quinoline N-tosyl-3-chloromethyl-8-methoxy-1,4,4a,5,6,10b-hexahydrobenzo(f)quinoline
Wiley ID 1376822