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5-Bromo-3-(2-methyl-3-nitrophenyl)-1-[(4-methylphenyl)sulfonyl]-1H-indole
SpectraBase Compound ID GQ46jCwOYU4
InChI InChI=1S/C22H17BrN2O4S/c1-14-6-9-17(10-7-14)30(28,29)24-13-20(19-12-16(23)8-11-22(19)24)18-4-3-5-21(15(18)2)25(26)27/h3-13H,1-2H3
InChIKey PQRBTAVSSIWIHQ-UHFFFAOYSA-N
Mol Weight 485.35 g/mol
Molecular Formula C22H17BrN2O4S
Exact Mass 484.009241 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FES7LJChYez
Name 5-Bromo-3-(2-methyl-3-nitrophenyl)-1-[(4-methylphenyl)sulfonyl]-1H-indole
CAS Registry Number 89346-35-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17BrN2O4S
InChI InChI=1S/C22H17BrN2O4S/c1-14-6-9-17(10-7-14)30(28,29)24-13-20(19-12-16(23)8-11-22(19)24)18-4-3-5-21(15(18)2)25(26)27/h3-13H,1-2H3
InChIKey PQRBTAVSSIWIHQ-UHFFFAOYSA-N
Molecular Weight 485.352 g/mol
SMILES c1(S([n]2cc(-c3c(c(N(=O)=O)ccc3)C)c3c2ccc(Br)c3)(=O)=O)ccc(cc1)C
SPLASH splash10-0f8i-0092500000-10a6190b813ffb5e5a3f
Source of Spectrum J-49-1553-0
Synonyms 5-Bromo-3-(2-methyl-3-nitrophenyl)-1-(4-methylphenyl)sulfonylindole 5-Bromo-3-(2-methyl-3-nitro-phenyl)-1-(p-tolylsulfonyl)indole 5-Bromanyl-3-(2-methyl-3-nitro-phenyl)-1-(4-methylphenyl)sulfonyl-indole
Wiley ID 1395936