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3-(3-bromanylpropylsulfanyl)-4-(4-ethoxyquinolin-3-yl)sulfanyl-quinoline
SpectraBase Compound ID FCFTWcNVXwq
InChI InChI=1S/C23H21BrN2OS2/c1-2-27-22-16-8-3-5-10-18(16)25-14-20(22)29-23-17-9-4-6-11-19(17)26-15-21(23)28-13-7-12-24/h3-6,8-11,14-15H,2,7,12-13H2,1H3
InChIKey HCELWLXJUBIKFH-UHFFFAOYSA-N
Mol Weight 485.46 g/mol
Molecular Formula C23H21BrN2OS2
Exact Mass 484.027869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CpScbEyawZs
Name 3-(3-bromanylpropylsulfanyl)-4-(4-ethoxyquinolin-3-yl)sulfanyl-quinoline
Comments Less than 3 mono-isotopic peaks
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Formula C23H21BrN2OS2
InChI InChI=1S/C23H21BrN2OS2/c1-2-27-22-16-8-3-5-10-18(16)25-14-20(22)29-23-17-9-4-6-11-19(17)26-15-21(23)28-13-7-12-24/h3-6,8-11,14-15H,2,7,12-13H2,1H3
InChIKey HCELWLXJUBIKFH-UHFFFAOYSA-N
Molecular Weight 485.458 g/mol
SMILES c1(Sc2c(c3ccccc3nc2)OCC)c2c(cccc2)ncc1SCCCBr
SPLASH splash10-0019-0000900000-f30407292df4afbd8c92
Source of Spectrum Y-35-1465-3
Synonyms 3-(3-bromopropylsulfanyl)-4-(4-ethoxyquinolin-3-yl)sulfanylquinoline 3-(3-bromopropylsulfanyl)-4-[(4-ethoxy-3-quinolyl)sulfanyl]quinoline 3-(3-bromopropylthio)-4-[(4-ethoxy-3-quinolinyl)thio]quinoline 3-(3-bromopropylthio)-4-[(4-ethoxy-3-quinolyl)thio]quinoline
Wiley ID 1395943