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(2,4-Diphenylbut-3-yn-2-yl) (p-Tolyl) Sulfide
SpectraBase Compound ID 4iVJDGUKTbl
InChI InChI=1S/C23H20S/c1-19-13-15-22(16-14-19)24-23(2,21-11-7-4-8-12-21)18-17-20-9-5-3-6-10-20/h3-16H,1-2H3
InChIKey MUNILTYHJJYIHA-UHFFFAOYSA-N
Mol Weight 328.47 g/mol
Molecular Formula C23H20S
Exact Mass 328.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 448qdtBDma3
Name (2,4-Diphenylbut-3-yn-2-yl) (p-Tolyl) Sulfide
Appearance Colorless oil
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Formula C23H20S
InChI InChI=1S/C23H20S/c1-19-13-15-22(16-14-19)24-23(2,21-11-7-4-8-12-21)18-17-20-9-5-3-6-10-20/h3-16H,1-2H3
InChIKey MUNILTYHJJYIHA-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973/Thermo 1300GC-ISQ 7009
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00333
Molecular Weight 328.473 g/mol
Reported Formula C23H20S
SMILES C(C#Cc1ccccc1)(Sc1ccc(cc1)C)(C)c1ccccc1
SPLASH splash10-0a4i-0191000000-4bf90afa65ee5920d680
Source of Spectrum JOC-86-7084-4ba
Thin-Layer Chromatography Rf = 0.17 (hexane)
Wiley ID 1867708