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1-(4-Methylphenyl)sulfonyl-4,6-dinitro-3-(thiophen-2-ylmethyl)indole
SpectraBase Compound ID 9AKgehA2DwA
InChI InChI=1S/C20H15N3O6S2/c1-13-4-6-17(7-5-13)31(28,29)21-12-14(9-16-3-2-8-30-16)20-18(21)10-15(22(24)25)11-19(20)23(26)27/h2-8,10-12H,9H2,1H3
InChIKey OXCMWQKEZPGEGY-UHFFFAOYSA-N
Mol Weight 457.48 g/mol
Molecular Formula C20H15N3O6S2
Exact Mass 457.040228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSOHyR4BboS
Name 1-(4-Methylphenyl)sulfonyl-4,6-dinitro-3-(thiophen-2-ylmethyl)indole
Alternate Name(s) 4,6-Dinitro-1-(p-tolylsulfonyl)-3-(2-thienylmethyl)indole 4,6-Dinitro-3-(2-thenyl)-1-tosyl-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15N3O6S2
InChI InChI=1S/C20H15N3O6S2/c1-13-4-6-17(7-5-13)31(28,29)21-12-14(9-16-3-2-8-30-16)20-18(21)10-15(22(24)25)11-19(20)23(26)27/h2-8,10-12H,9H2,1H3
InChIKey OXCMWQKEZPGEGY-UHFFFAOYSA-N
Molecular Weight 457.475 g/mol
SMILES c12c(cc(cc2N(=O)=O)N(=O)=O)[n](cc1Cc1cccs1)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-052f-9540000000-7d4b0111531fd24e3634
Wiley ID 1512312