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(2-Methyl-4-(naphthalen-1-yl)but-3-yn-2-yl) (p-tolyl) sulfide
SpectraBase Compound ID JebzwnkA1x2
InChI InChI=1S/C22H20S/c1-17-11-13-20(14-12-17)23-22(2,3)16-15-19-9-6-8-18-7-4-5-10-21(18)19/h4-14H,1-3H3
InChIKey GRHBTZWIOCIYQW-UHFFFAOYSA-N
Mol Weight 316.46 g/mol
Molecular Formula C22H20S
Exact Mass 316.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zsuPlZ3VtB
Name (2-Methyl-4-(naphthalen-1-yl)but-3-yn-2-yl) (p-tolyl) sulfide
Appearance Pale yellow oil
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Formula C22H20S
InChI InChI=1S/C22H20S/c1-17-11-13-20(14-12-17)23-22(2,3)16-15-19-9-6-8-18-7-4-5-10-21(18)19/h4-14H,1-3H3
InChIKey GRHBTZWIOCIYQW-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202200613
Molecular Weight 316.462 g/mol
Reported Formula C22H21S
SMILES c1(ccc(cc1)C)SC(C#Cc1c2c(ccc1)cccc2)(C)C
SPLASH splash10-0006-0901000000-4a78e6843f77269f8d42
Source of Spectrum ASC-364-SM11-1x
Thin-Layer Chromatography Rf = 0.15 (Hex/CH2Cl2, 100:1)
Wiley ID 1872937