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(2-Cyclopropyl-4-phenylbut-3-yn-2-yl) (p-Tolyl) Sulfide
SpectraBase Compound ID KO5zSdTnqoC
InChI InChI=1S/C20H20S/c1-16-8-12-19(13-9-16)21-20(2,18-10-11-18)15-14-17-6-4-3-5-7-17/h3-9,12-13,18H,10-11H2,1-2H3
InChIKey GARWIUBHLMLLKH-UHFFFAOYSA-N
Mol Weight 292.44 g/mol
Molecular Formula C20H20S
Exact Mass 292.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4P6fv1vUTQ
Name (2-Cyclopropyl-4-phenylbut-3-yn-2-yl) (p-Tolyl) Sulfide
Appearance Pale yellow oil
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Formula C20H20S
InChI InChI=1S/C20H20S/c1-16-8-12-19(13-9-16)21-20(2,18-10-11-18)15-14-17-6-4-3-5-7-17/h3-9,12-13,18H,10-11H2,1-2H3
InChIKey GARWIUBHLMLLKH-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973/Thermo 1300GC-ISQ 7012
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00333
Reported Formula C20H20S
SMILES C(C#Cc1ccccc1)(Sc1ccc(cc1)C)(C)C1CC1
SPLASH splash10-0uxu-0900000000-164bb6d1f1b3c77bee5f
Source of Spectrum JOC-86-7084-4fa
Thin-Layer Chromatography Rf = 0.19 (hexane)
Wiley ID 1867712