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(2-Methyl-4-phenylbut-3-yn-2-yl) (Naphthalen-2-yl) Sulfide
SpectraBase Compound ID 9QtXDjwqmTX
InChI InChI=1S/C21H18S/c1-21(2,15-14-17-8-4-3-5-9-17)22-20-13-12-18-10-6-7-11-19(18)16-20/h3-13,16H,1-2H3
InChIKey HFKYRNRARRFUDO-UHFFFAOYSA-N
Mol Weight 302.44 g/mol
Molecular Formula C21H18S
Exact Mass 302.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1H0TBeXodjs
Name (2-Methyl-4-phenylbut-3-yn-2-yl) (Naphthalen-2-yl) Sulfide
Appearance Colorless solid
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Formula C21H18S
InChI InChI=1S/C21H18S/c1-21(2,15-14-17-8-4-3-5-9-17)22-20-13-12-18-10-6-7-11-19(18)16-20/h3-13,16H,1-2H3
InChIKey HFKYRNRARRFUDO-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973/Thermo 1300GC-ISQ 7008
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00333
Molecular Weight 302.435 g/mol
Reported Formula C21H18S
SMILES C(C#Cc1ccccc1)(Sc1ccc2c(c1)cccc2)(C)C
SPLASH splash10-0006-0901000000-a3ebc875c79aa654acdc
Source of Spectrum JOC-86-7083-4aj
Thin-Layer Chromatography Rf = 0.16 (hexane)
Wiley ID 1867707