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(4-Bromophenyl) (2-Methyl-4-phenylbut-3-yn-2-yl) Sulfide
SpectraBase Compound ID 5SISidXarZA
InChI InChI=1S/C17H15BrS/c1-17(2,13-12-14-6-4-3-5-7-14)19-16-10-8-15(18)9-11-16/h3-11H,1-2H3
InChIKey OFPIZURRYFCAFU-UHFFFAOYSA-N
Mol Weight 331.27 g/mol
Molecular Formula C17H15BrS
Exact Mass 330.007785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTPYqCJAxoj
Name (4-Bromophenyl) (2-Methyl-4-phenylbut-3-yn-2-yl) Sulfide
Appearance White oil
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Formula C17H15BrS
InChI InChI=1S/C17H15BrS/c1-17(2,13-12-14-6-4-3-5-7-14)19-16-10-8-15(18)9-11-16/h3-11H,1-2H3
InChIKey OFPIZURRYFCAFU-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973/Thermo 1300GC-ISQ 7002
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00333
Molecular Weight 331.271 g/mol
Reported Formula C17H15BrS
SMILES C(C#Cc1ccccc1)(Sc1ccc(cc1)Br)(C)C
SPLASH splash10-0006-0900000000-78faca4dd6c12eeeec66
Source of Spectrum JOC-86-7083-4ad
Thin-Layer Chromatography Rf = 0.5 (hexane)
Wiley ID 1867701