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3-Benzyl-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-1H-indole
SpectraBase Compound ID Clhq5CnLS4y
InChI InChI=1S/C22H17N3O6S/c1-15-7-9-19(10-8-15)32(30,31)23-14-17(11-16-5-3-2-4-6-16)22-20(23)12-18(24(26)27)13-21(22)25(28)29/h2-10,12-14H,11H2,1H3
InChIKey JHPIOVDHSWPOTD-UHFFFAOYSA-N
Mol Weight 451.45 g/mol
Molecular Formula C22H17N3O6S
Exact Mass 451.083806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUhCWuYlsx5
Name 3-Benzyl-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-1H-indole
Alternate Name(s) 1-(4-Methylphenyl)sulfonyl-4,6-dinitro-3-(phenylmethyl)indole 3-Benzyl-1-(4-methylphenyl)sulfonyl-4,6-dinitroindole 3-Benzyl-4,6-dinitro-1-(p-tolylsulfonyl)indole 3-Benzyl-4,6-dinitro-1-tosyl-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17N3O6S
InChI InChI=1S/C22H17N3O6S/c1-15-7-9-19(10-8-15)32(30,31)23-14-17(11-16-5-3-2-4-6-16)22-20(23)12-18(24(26)27)13-21(22)25(28)29/h2-10,12-14H,11H2,1H3
InChIKey JHPIOVDHSWPOTD-UHFFFAOYSA-N
Molecular Weight 451.453 g/mol
SMILES c1ccc(Cc2c[n](S(c3ccc(C)cc3)(=O)=O)c3c2c(N(=O)=O)cc(N(=O)=O)c3)cc1
SPLASH splash10-0udm-4790000000-be66f20167c5f298c604
Wiley ID 1455106