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[4-(4-Methoxyphenyl)-2-methylbut-3-yn-2-yl] (p-Tolyl) Sulfide
SpectraBase Compound ID LmD2xDMAlFu
InChI InChI=1S/C19H20OS/c1-15-5-11-18(12-6-15)21-19(2,3)14-13-16-7-9-17(20-4)10-8-16/h5-12H,1-4H3
InChIKey OCTPGIVJECELPH-UHFFFAOYSA-N
Mol Weight 296.43 g/mol
Molecular Formula C19H20OS
Exact Mass 296.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GOvj5QeyKDX
Name [4-(4-Methoxyphenyl)-2-methylbut-3-yn-2-yl] (p-Tolyl) Sulfide
Appearance Yellow oil
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Formula C19H20OS
InChI InChI=1S/C19H20OS/c1-15-5-11-18(12-6-15)21-19(2,3)14-13-16-7-9-17(20-4)10-8-16/h5-12H,1-4H3
InChIKey OCTPGIVJECELPH-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973/Thermo 1300GC-ISQ 7016
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00333
Molecular Weight 296.428 g/mol
Reported Formula C19H20OS
SMILES C(C#Cc1ccc(cc1)OC)(Sc1ccc(cc1)C)(C)C
SPLASH splash10-00di-0900000000-1d7b731b719753eb8b10
Source of Spectrum JOC-86-7084-4ja
Thin-Layer Chromatography Rf = 0.38 (hexane/ EtOAc, 20:1)
Wiley ID 1867717