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1-Bromo-4,4-dimethyl-3-phenyl-1-(4'-methylphenyl)sulfonyl-1,2-pentadiene
SpectraBase Compound ID KBkJvCVWiEn
InChI InChI=1S/C20H21BrO2S/c1-15-10-12-17(13-11-15)24(22,23)19(21)14-18(20(2,3)4)16-8-6-5-7-9-16/h5-13H,1-4H3
InChIKey NFLGKQTXDKHFHW-UHFFFAOYSA-N
Mol Weight 405.35 g/mol
Molecular Formula C20H21BrO2S
Exact Mass 404.044564 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVc3tKo0BNd
Name 1-Bromo-4,4-dimethyl-3-phenyl-1-(4'-methylphenyl)sulfonyl-1,2-pentadiene
Alternate Name(s) 1-Bromo-4,4-dimethyl-3-phenyl-1,2-pentadienyl 4-methylphenyl sulfone 1-[(1-bromo-4,4-dimethyl-3-phenyl-1,2-pentadienyl)sulfonyl]-4-methylbenzene
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Formula C20H21BrO2S
InChI InChI=1S/C20H21BrO2S/c1-15-10-12-17(13-11-15)24(22,23)19(21)14-18(20(2,3)4)16-8-6-5-7-9-16/h5-13H,1-4H3
InChIKey NFLGKQTXDKHFHW-UHFFFAOYSA-N
Molecular Weight 405.350 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(=C=C(C(C)(C)C)c1ccccc1)Br
SPLASH splash10-0002-0009000000-45056c0b51949ea48c69
Source of Spectrum U-1996-176-12
Wiley ID 768097