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(4-Methoxyphenyl) (2-Methyl-4-phenylbut-3-yn-2-yl) Sulfide
SpectraBase Compound ID ASt0iSy4BPZ
InChI InChI=1S/C18H18OS/c1-18(2,14-13-15-7-5-4-6-8-15)20-17-11-9-16(19-3)10-12-17/h4-12H,1-3H3
InChIKey DTEOUTVABJLDEZ-UHFFFAOYSA-N
Mol Weight 282.4 g/mol
Molecular Formula C18H18OS
Exact Mass 282.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DY5h7eXQ2Em
Name (4-Methoxyphenyl) (2-Methyl-4-phenylbut-3-yn-2-yl) Sulfide
Appearance Pale yellow oil
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Formula C18H18OS
InChI InChI=1S/C18H18OS/c1-18(2,14-13-15-7-5-4-6-8-15)20-17-11-9-16(19-3)10-12-17/h4-12H,1-3H3
InChIKey DTEOUTVABJLDEZ-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973/Thermo 1300GC-ISQ 7000
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00333
Molecular Weight 282.401 g/mol
Reported Formula C18H18OS
SMILES C(C#Cc1ccccc1)(Sc1ccc(cc1)OC)(C)C
SPLASH splash10-004i-2910000000-5697d4fe3c43087c4962
Source of Spectrum JOC-86-7083-4ab
Thin-Layer Chromatography Rf = 0.12 (hexane/ EtOAc, 50:1)
Wiley ID 1867699