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4-(4-Hydroxybutoxy)-3'-methylthio-3,4'-diquinolinyl sulfide

View entire compound with spectra: 1 MS (GC)

4-(4-Hydroxybutoxy)-3'-methylthio-3,4'-diquinolinyl sulfide
SpectraBase Compound ID GPHyCJQJo0Z
InChI InChI=1S/C23H22N2O2S2/c1-28-21-15-25-19-11-5-3-9-17(19)23(21)29-20-14-24-18-10-4-2-8-16(18)22(20)27-13-7-6-12-26/h2-5,8-11,14-15,26H,6-7,12-13H2,1H3
InChIKey DXQOTZSZHPGTTQ-UHFFFAOYSA-N
Mol Weight 422.56 g/mol
Molecular Formula C23H22N2O2S2
Exact Mass 422.11227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kow8XyYmrjH
Name 4-(4-Hydroxybutoxy)-3'-methylthio-3,4'-diquinolinyl sulfide
Alternate Name(s) 4-[(3-{[3-(methylsulfanyl)-4-quinolinyl]sulfanyl}-4-quinolinyl)oxy]-1-butanol 4-[3-(3-Methylsulfanyl-quinolin-4-ylsulfanyl)-quinolin-4-yloxy]-butan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N2O2S2
InChI InChI=1S/C23H22N2O2S2/c1-28-21-15-25-19-11-5-3-9-17(19)23(21)29-20-14-24-18-10-4-2-8-16(18)22(20)27-13-7-6-12-26/h2-5,8-11,14-15,26H,6-7,12-13H2,1H3
InChIKey DXQOTZSZHPGTTQ-UHFFFAOYSA-N
Molecular Weight 422.561 g/mol
SMILES OCCCCOc1c(Sc2c3c(cccc3)ncc2SC)cnc2ccccc12
SPLASH splash10-0udi-0009200000-f769d2a7bf5be744a13a
Source of Spectrum H1-53-1911-2
Wiley ID 817896