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(3-Ethyl-1-phenylpent-1-yn-3-yl) (p-tolyl) sulfide
SpectraBase Compound ID Ff4nGoeTRV5
InChI InChI=1S/C20H22S/c1-4-20(5-2,16-15-18-9-7-6-8-10-18)21-19-13-11-17(3)12-14-19/h6-14H,4-5H2,1-3H3
InChIKey GCUCIYKBEYJVOT-UHFFFAOYSA-N
Mol Weight 294.46 g/mol
Molecular Formula C20H22S
Exact Mass 294.144222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13QqskMBFI4
Name (3-Ethyl-1-phenylpent-1-yn-3-yl) (p-tolyl) sulfide
Appearance Yellow liquid
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Formula C20H22S
InChI InChI=1S/C20H22S/c1-4-20(5-2,16-15-18-9-7-6-8-10-18)21-19-13-11-17(3)12-14-19/h6-14H,4-5H2,1-3H3
InChIKey GCUCIYKBEYJVOT-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202200613
Molecular Weight 294.456 g/mol
Reported Formula C20H23S
SMILES c1(ccc(cc1)C)SC(C#Cc1ccccc1)(CC)CC
SPLASH splash10-00kf-8910000000-980ec3aba449aa57c0a2
Source of Spectrum ASC-364-SM5-1l
Thin-Layer Chromatography Rf = 0.48 (Hex/CH2Cl2, 20:1)
Wiley ID 1872929