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(4-Bromophenyl) [4-(4-Ethylphenyl)-2-methylbut-3-yn-2-yl] Sulfide
SpectraBase Compound ID E3jLAe2HAHw
InChI InChI=1S/C19H19BrS/c1-4-15-5-7-16(8-6-15)13-14-19(2,3)21-18-11-9-17(20)10-12-18/h5-12H,4H2,1-3H3
InChIKey FIIHICISJNJOMZ-UHFFFAOYSA-N
Mol Weight 359.33 g/mol
Molecular Formula C19H19BrS
Exact Mass 358.039085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29KNl6NLzg1
Name (4-Bromophenyl) [4-(4-Ethylphenyl)-2-methylbut-3-yn-2-yl] Sulfide
Appearance Yellow liquid
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Formula C19H19BrS
InChI InChI=1S/C19H19BrS/c1-4-15-5-7-16(8-6-15)13-14-19(2,3)21-18-11-9-17(20)10-12-18/h5-12H,4H2,1-3H3
InChIKey FIIHICISJNJOMZ-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973/Thermo 1300GC-ISQ 7047
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00333
Molecular Weight 359.325 g/mol
Reported Formula C19H19BrS
SMILES C(C)c1ccc(cc1)C#CC(Sc1ccc(cc1)Br)(C)C
SPLASH splash10-00di-0900000000-462a130869fb21b8b2dd
Source of Spectrum JOC-86-7088-12
Thin-Layer Chromatography Rf = 0.26 (hexane)
Wiley ID 1867696