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5-Chloro-2-(4-methylphenyl)-3-(4-methylphenylsulfonyl)indole
SpectraBase Compound ID JoPzfCteDV4
InChI InChI=1S/C22H18ClNO2S/c1-14-3-7-16(8-4-14)21-22(19-13-17(23)9-12-20(19)24-21)27(25,26)18-10-5-15(2)6-11-18/h3-13,24H,1-2H3
InChIKey FFEOAKRROXJRHU-UHFFFAOYSA-N
Mol Weight 395.9 g/mol
Molecular Formula C22H18ClNO2S
Exact Mass 395.074678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CG6wREpuDeE
Name 5-Chloro-2-(4-methylphenyl)-3-(4-methylphenylsulfonyl)indole
Alternate Name(s) 5-Chloro-2-(4-methylphenyl)-1H-indol-3-yl 4-methylphenyl sulfone 5-Chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)sulfonyl]-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18ClNO2S
InChI InChI=1S/C22H18ClNO2S/c1-14-3-7-16(8-4-14)21-22(19-13-17(23)9-12-20(19)24-21)27(25,26)18-10-5-15(2)6-11-18/h3-13,24H,1-2H3
InChIKey FFEOAKRROXJRHU-UHFFFAOYSA-N
Molecular Weight 395.904 g/mol
SMILES [nH]1c2c(c(c1-c1ccc(cc1)C)S(c1ccc(cc1)C)(=O)=O)cc(cc2)Cl
SPLASH splash10-0002-0039000000-46ff5dabf8bbd17b4a82
Source of Spectrum SO-0-988-7
Wiley ID 875625