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(2-Methyl-4-phenylbut-3-yn-2-yl) (Phenyl) Sulfide
SpectraBase Compound ID IFCL4zpaFsc
InChI InChI=1S/C17H16S/c1-17(2,18-16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-12H,1-2H3
InChIKey PZPQDOBJULZIMO-UHFFFAOYSA-N
Mol Weight 252.37 g/mol
Molecular Formula C17H16S
Exact Mass 252.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 337l1rcyZlA
Name (2-Methyl-4-phenylbut-3-yn-2-yl) (Phenyl) Sulfide
Appearance Pale yellow liquid
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Formula C17H16S
InChI InChI=1S/C17H16S/c1-17(2,18-16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-12H,1-2H3
InChIKey PZPQDOBJULZIMO-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973/Thermo 1300GC-ISQ 7003
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00333
Molecular Weight 252.375 g/mol
SMILES C(C#Cc1ccccc1)(Sc1ccccc1)(C)C
SPLASH splash10-00mo-1900000000-6979c44e33718a396620
Source of Spectrum JOC-86-7083-4ae
Thin-Layer Chromatography Rf = 0.23 (hexane)
Wiley ID 1867702