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(2-(2-Bromophenyl)-4-phenylbut-3-yn-2-yl) (p-tolyl) sulfide
SpectraBase Compound ID 60C4Gj7A3QQ
InChI InChI=1S/C23H19BrS/c1-18-12-14-20(15-13-18)25-23(2,21-10-6-7-11-22(21)24)17-16-19-8-4-3-5-9-19/h3-15H,1-2H3
InChIKey LHONDKDONJJVGX-UHFFFAOYSA-N
Mol Weight 407.37 g/mol
Molecular Formula C23H19BrS
Exact Mass 406.039085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Is15r2zn6lS
Name (2-(2-Bromophenyl)-4-phenylbut-3-yn-2-yl) (p-tolyl) sulfide
Appearance Pale yellow oil
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Formula C23H19BrS
InChI InChI=1S/C23H19BrS/c1-18-12-14-20(15-13-18)25-23(2,21-10-6-7-11-22(21)24)17-16-19-8-4-3-5-9-19/h3-15H,1-2H3
InChIKey LHONDKDONJJVGX-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202200613
Molecular Weight 407.369 g/mol
SMILES c1(ccc(cc1)C)SC(C#Cc1ccccc1)(c1c(cccc1)Br)C
SPLASH splash10-0fc9-0095000000-ad606c7845e94f383426
Source of Spectrum ASC-364-SM8-1r
Thin-Layer Chromatography Rf = 0.15 (Hexane/CH2Cl2, 30:1)
Wiley ID 1872932