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[4-(3-Methoxyphenyl)-2-methylbut-3-yn-2-yl] (p-Tolyl) Sulfide
SpectraBase Compound ID B2hBNrE1A30
InChI InChI=1S/C19H20OS/c1-15-8-10-18(11-9-15)21-19(2,3)13-12-16-6-5-7-17(14-16)20-4/h5-11,14H,1-4H3
InChIKey LFVKTRUZEVILOJ-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 9r5wHbOhs5u
Name [4-(3-Methoxyphenyl)-2-methylbut-3-yn-2-yl] (p-Tolyl) Sulfide
Appearance Yellow oil
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Formula C19H20OS
InChI InChI=1S/C19H20OS/c1-15-8-10-18(11-9-15)21-19(2,3)13-12-16-6-5-7-17(14-16)20-4/h5-11,14H,1-4H3
InChIKey LFVKTRUZEVILOJ-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973/Thermo 1300GC-ISQ 7019
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00333
Molecular Weight 296.428 g/mol
Reported Formula C19H20OS
SMILES C(C#Cc1cccc(c1)OC)(Sc1ccc(cc1)C)(C)C
SPLASH splash10-00di-0920000000-11f22f365785015fa546
Source of Spectrum JOC-86-7085-4ka
Thin-Layer Chromatography Rf = 0.31 (hexane/ EtOAc, 20:1)
Wiley ID 1867720