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(4-Phenylbut-3-yn-2-yl) (p-tolyl) sulfide
SpectraBase Compound ID 4peTdPrbpZo
InChI InChI=1S/C17H16S/c1-14-8-12-17(13-9-14)18-15(2)10-11-16-6-4-3-5-7-16/h3-9,12-13,15H,1-2H3
InChIKey HTXIRZHHNUFMDJ-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 H5JRLNbTRo7
Name (4-Phenylbut-3-yn-2-yl) (p-tolyl) sulfide
Appearance Colorless oil
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Formula C17H16S
InChI InChI=1S/C17H16S/c1-14-8-12-17(13-9-14)18-15(2)10-11-16-6-4-3-5-7-16/h3-9,12-13,15H,1-2H3
InChIKey HTXIRZHHNUFMDJ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202200613
Molecular Weight 252.375 g/mol
Reported Formula C17H17S
SMILES c1(ccccc1)C#CC(C)Sc1ccc(cc1)C
SPLASH splash10-004i-3910000000-db92f869a63ddd73dea5
Source of Spectrum ASC-364-SM13-S6
Thin-Layer Chromatography Rf = 0.23 (hexane/CH2Cl2, 10:1)
Wiley ID 1872958