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1-Butanone, 2-bromo-3-[(4-methylphenyl)sulfonyl]-1,3-diphenyl-
SpectraBase Compound ID JzvJ4cUnn9Q
InChI InChI=1S/C23H21BrO3S/c1-17-13-15-20(16-14-17)28(26,27)23(2,19-11-7-4-8-12-19)22(24)21(25)18-9-5-3-6-10-18/h3-16,22H,1-2H3
InChIKey MBBLTHDVXLLQAW-UHFFFAOYSA-N
Mol Weight 457.38 g/mol
Molecular Formula C23H21BrO3S
Exact Mass 456.039479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7G4w4jfLXrg
Name 1-Butanone, 2-bromo-3-[(4-methylphenyl)sulfonyl]-1,3-diphenyl-
Alternate Name(s) 2-Bromo-1,3-diphenyl-3-tosylbutan-1-one 2-Bromo-3-[(4-methylphenyl)sulfonyl]-1,3-diphenylbutan-1-one 2-Bromo-3-(4-methylphenyl)sulfonyl-1,3-diphenyl-1-butanone 2-Bromo-3-(4-methylphenyl)sulfonyl-1,3-diphenylbutan-1-one 2-Bromo-1,3-diphenyl-3-(p-tolylsulfonyl)butan-1-one 2-Bromanyl-3-(4-methylphenyl)sulfonyl-1,3-diphenyl-butan-1-one
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Formula C23H21BrO3S
InChI InChI=1S/C23H21BrO3S/c1-17-13-15-20(16-14-17)28(26,27)23(2,19-11-7-4-8-12-19)22(24)21(25)18-9-5-3-6-10-18/h3-16,22H,1-2H3
InChIKey MBBLTHDVXLLQAW-UHFFFAOYSA-N
Molecular Weight 457.382 g/mol
SMILES Cc1ccc(cc1)S(=O)(=O)C(C)(C(Br)C(=O)c1ccccc1)c1ccccc1
SPLASH splash10-0a4i-4920000000-fef88cbc9eaeb29d19a8
Source of Spectrum JX-2015-4-677
Wiley ID 1726098