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(3-Ethyl-4-methyl-1-phenylpent-1-yn-3-yl) (p-tolyl) sulfide
SpectraBase Compound ID IbZYVf4Jxy7
InChI InChI=1S/C21H24S/c1-5-21(17(2)3,16-15-19-9-7-6-8-10-19)22-20-13-11-18(4)12-14-20/h6-14,17H,5H2,1-4H3
InChIKey JBPCCEZWYLJJES-UHFFFAOYSA-N
Mol Weight 308.48 g/mol
Molecular Formula C21H24S
Exact Mass 308.159872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVgK3TYNogS
Name (3-Ethyl-4-methyl-1-phenylpent-1-yn-3-yl) (p-tolyl) sulfide
Appearance Yellow oil
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Formula C21H24S
InChI InChI=1S/C21H24S/c1-5-21(17(2)3,16-15-19-9-7-6-8-10-19)22-20-13-11-18(4)12-14-20/h6-14,17H,5H2,1-4H3
InChIKey JBPCCEZWYLJJES-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202200613
Molecular Weight 308.483 g/mol
Reported Formula C21H25S
SMILES c1(ccc(cc1)C)SC(C#Cc1ccccc1)(C(C)C)CC
SPLASH splash10-0006-9000000000-57f26a2070327ae5262a
Source of Spectrum ASC-364-SM7-1p
Thin-Layer Chromatography Rf = 0.32 (Hex/CH2Cl2, 20:1)
Wiley ID 1872931