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4-Chloro-1-(3'-nitrophenyl)-3-phenyl-4-(p-tosyl)butan-1-ol
SpectraBase Compound ID 230SW2Y23ab
InChI InChI=1S/C23H22ClNO5S/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/h2-14,21-23,26H,15H2,1H3
InChIKey RKZNCRBALBFDDR-UHFFFAOYSA-N
Mol Weight 459.94 g/mol
Molecular Formula C23H22ClNO5S
Exact Mass 459.090722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16wTIOrgNGT
Name 4-Chloro-1-(3'-nitrophenyl)-3-phenyl-4-(p-tosyl)butan-1-ol
Alternate Name(s) 4-Chloro-4-[(4-methylphenyl)sulfonyl]-1-(3-nitrophenyl)-3-phenyl-1-butanol 4-Chloro-4-(4-methylphenyl)sulfonyl-1-(3-nitrophenyl)-3-phenyl-1-butanol 4-Chloro-4-(4-methylphenyl)sulfonyl-1-(3-nitrophenyl)-3-phenylbutan-1-ol 4-Chloro-1-(3-nitrophenyl)-3-phenyl-4-(p-tolylsulfonyl)butan-1-ol 4-Chloranyl-4-(4-methylphenyl)sulfonyl-1-(3-nitrophenyl)-3-phenyl-butan-1-ol
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Formula C23H22ClNO5S
InChI InChI=1S/C23H22ClNO5S/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/h2-14,21-23,26H,15H2,1H3
InChIKey RKZNCRBALBFDDR-UHFFFAOYSA-N
Molecular Weight 459.944 g/mol
SMILES OC(c1cc(N(=O)=O)ccc1)CC(C(S(c1ccc(cc1)C)(=O)=O)Cl)c1ccccc1
SPLASH splash10-0udi-2920000000-1c685b64c33b428fc9dc
Source of Spectrum U1-1998-2234-8
Wiley ID 751843