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(2-Methyl-4-(o-tolyl)but-3-yn-2-yl) (p-tolyl) sulfide
SpectraBase Compound ID 5I69FvOcL9m
InChI InChI=1S/C19H20S/c1-15-9-11-18(12-10-15)20-19(3,4)14-13-17-8-6-5-7-16(17)2/h5-12H,1-4H3
InChIKey QHECBEQGWKWLKH-UHFFFAOYSA-N
Mol Weight 280.43 g/mol
Molecular Formula C19H20S
Exact Mass 280.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3U0an0IoJ1
Name (2-Methyl-4-(o-tolyl)but-3-yn-2-yl) (p-tolyl) sulfide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20S
InChI InChI=1S/C19H20S/c1-15-9-11-18(12-10-15)20-19(3,4)14-13-17-8-6-5-7-16(17)2/h5-12H,1-4H3
InChIKey QHECBEQGWKWLKH-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202200613
Reported Formula C19H21S
SMILES c1(ccc(cc1)C)SC(C#Cc1c(cccc1)C)(C)C
SPLASH splash10-0a4i-0900000000-381494905dcef38ef9f8
Source of Spectrum ASC-364-SM9-1t
Thin-Layer Chromatography Rf = 0.32 (Hexane)
Wiley ID 1872933