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Benzo[f]quinoline-3-methanol, 1,2,3,4,4a,5,6,10b-octahydro-8-methoxy-4-[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID 9ymWad2vKdH
InChI InChI=1S/C22H27NO4S/c1-15-3-8-19(9-4-15)28(25,26)23-17(14-24)6-10-21-20-11-7-18(27-2)13-16(20)5-12-22(21)23/h3-4,7-9,11,13,17,21-22,24H,5-6,10,12,14H2,1-2H3
InChIKey CADCZZKIEJNCNV-UHFFFAOYSA-N
Mol Weight 401.52 g/mol
Molecular Formula C22H27NO4S
Exact Mass 401.16608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhQQZbD8Hq5
Name Benzo[f]quinoline-3-methanol, 1,2,3,4,4a,5,6,10b-octahydro-8-methoxy-4-[(4-methylphenyl)sulfonyl]-
CAS Registry Number 67890-66-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO4S
InChI InChI=1S/C22H27NO4S/c1-15-3-8-19(9-4-15)28(25,26)23-17(14-24)6-10-21-20-11-7-18(27-2)13-16(20)5-12-22(21)23/h3-4,7-9,11,13,17,21-22,24H,5-6,10,12,14H2,1-2H3
InChIKey CADCZZKIEJNCNV-UHFFFAOYSA-N
Molecular Weight 401.521 g/mol
SMILES OCC1N(S(c2ccc(cc2)C)(=O)=O)C2C(c3ccc(cc3CC2)OC)CC1
SPLASH splash10-0006-9000000000-154ee4b70195618d3610
Source of Spectrum F-34-1030-0
Synonyms N-tosyl-3.beta.-hydroxymethyl-1,2,3,4,4a,5,6,10b-octahydrobenzo(f)quinuline {8-methoxy-4-[(4-methylphenyl)sulfonyl]-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-3-yl}methanol
Wiley ID 1369984