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(2-Methyl-4-phenylbut-3-yn-2-yl) (p-Tolyl) Sulfide
SpectraBase Compound ID 1virONV5J2N
InChI InChI=1S/C18H18S/c1-15-9-11-17(12-10-15)19-18(2,3)14-13-16-7-5-4-6-8-16/h4-12H,1-3H3
InChIKey JWKPNLUNSNLBJG-UHFFFAOYSA-N
Mol Weight 266.4 g/mol
Molecular Formula C18H18S
Exact Mass 266.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFm8pkDRPjZ
Name (2-Methyl-4-phenylbut-3-yn-2-yl) (p-Tolyl) Sulfide
Appearance Pale yellow liquid
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Formula C18H18S
InChI InChI=1S/C18H18S/c1-15-9-11-17(12-10-15)19-18(2,3)14-13-16-7-5-4-6-8-16/h4-12H,1-3H3
InChIKey JWKPNLUNSNLBJG-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973/Thermo 1300GC-ISQ 7000
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00333
Molecular Weight 266.402 g/mol
Reported Formula C18H18S
SMILES C(C#Cc1ccccc1)(Sc1ccc(cc1)C)(C)C
SPLASH splash10-0006-0920000000-ebd4afa616f369c59183
Source of Spectrum JOC-86-7083-4aa
Thin-Layer Chromatography Rf = 0.22 (hexane)
Wiley ID 1867698