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2-METHYL-5-(4'-METHYLPHENYL)-SULFONYL-4-NITROIMIDAZOLE
SpectraBase Compound ID C5fwqGlpz8O
InChI InChI=1S/C11H11N3O4S/c1-7-3-5-9(6-4-7)19(17,18)11-10(14(15)16)12-8(2)13-11/h3-6H,1-2H3,(H,12,13)
InChIKey MXTSYAXLVVUQBJ-UHFFFAOYSA-N
Mol Weight 281.29 g/mol
Molecular Formula C11H11N3O4S
Exact Mass 281.047027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KxiB5i3uAQM
Name 1H-Imidazole, 2-methyl-4-[(4-methylphenyl)sulfonyl]-5-nitro-
CAS Registry Number 113121-75-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O4S
InChI InChI=1S/C11H11N3O4S/c1-7-3-5-9(6-4-7)19(17,18)11-10(14(15)16)12-8(2)13-11/h3-6H,1-2H3,(H,12,13)
InChIKey MXTSYAXLVVUQBJ-UHFFFAOYSA-N
Molecular Weight 281.286 g/mol
SMILES [nH]1c(nc(c1N(=O)=O)S(c1ccc(cc1)C)(=O)=O)C
SPLASH splash10-0f89-0490000000-767ae32e9e18901adf8d
Source of Spectrum B-40-1424-0
Synonyms 2-Methyl-4-[(4-methylphenyl)sulfonyl]-5-nitro-1H-imidazole 2-Methyl-5-(4'-methylphenyl)sulfonyl-4-nitroimidazole 2-Methyl-5-nitro-1H-imidazol-4-yl 4-methylphenyl sulfone
Wiley ID 1284616