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4-Chloranyl-4-(4-methylphenyl)sulfonyl-1-(3-nitrophenyl)-3-phenyl-butan-1-one
SpectraBase Compound ID GIxsU37S2gj
InChI InChI=1S/C23H20ClNO5S/c1-16-10-12-20(13-11-16)31(29,30)23(24)21(17-6-3-2-4-7-17)15-22(26)18-8-5-9-19(14-18)25(27)28/h2-14,21,23H,15H2,1H3
InChIKey RMUOBQFYAAFHMK-UHFFFAOYSA-N
Mol Weight 457.93 g/mol
Molecular Formula C23H20ClNO5S
Exact Mass 457.075072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tXSXcBu2cW
Name 4-Chloranyl-4-(4-methylphenyl)sulfonyl-1-(3-nitrophenyl)-3-phenyl-butan-1-one
Alternate Name(s) 4-Chloro-1-(3-nitrophenyl)-3-phenyl-4-(p-tolylsulfonyl)butan-1-one 4-Chloro-1-(3-nitrophenyl)-3-phenyl-4-tosyl-butan-1-one 4-Chloro-4-(4-methylphenyl)sulfonyl-1-(3-nitrophenyl)-3-phenylbutan-1-one
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Formula C23H20ClNO5S
InChI InChI=1S/C23H20ClNO5S/c1-16-10-12-20(13-11-16)31(29,30)23(24)21(17-6-3-2-4-7-17)15-22(26)18-8-5-9-19(14-18)25(27)28/h2-14,21,23H,15H2,1H3
InChIKey RMUOBQFYAAFHMK-UHFFFAOYSA-N
Molecular Weight 457.928 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C(CC(c1cc(N(=O)=O)ccc1)=O)c1ccccc1)Cl
SPLASH splash10-0udi-1911000000-d3ae97d4a4b1e55c1bc4
Source of Spectrum U1-1998-2233-8
Wiley ID 751844