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1-METHYL-5-(4'-METHYLPHENYL)-SULFONYL-4-NITROIMIDAZOLE
SpectraBase Compound ID DmXtsObFqwo
InChI InChI=1S/C11H11N3O4S/c1-8-3-5-9(6-4-8)19(17,18)11-10(14(15)16)12-7-13(11)2/h3-7H,1-2H3
InChIKey DWIFYVQUMRFIPP-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 BgjBa8nMf2s
Name 1-Methyl-4-nitro-5-(p-tolylsulfonyl)imidazole
CAS Registry Number 108375-63-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O4S
InChI InChI=1S/C11H11N3O4S/c1-8-3-5-9(6-4-8)19(17,18)11-10(14(15)16)12-7-13(11)2/h3-7H,1-2H3
InChIKey DWIFYVQUMRFIPP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200800022
Molecular Weight 281.286 g/mol
SMILES c1[n](c(c(n1)[N+](=O)[O-])S(c1ccc(cc1)C)(=O)=O)C
SPLASH splash10-0cfu-9820000000-1e31f521335b11ab0112
Source of Spectrum APC-341-500-6
Synonyms 1-Methyl-4-nitro-5-(4-methylphenylsulfonyl)-1H-imidazole 1-Methyl-4-nitro-5-tosyl-imidazole 1-Methyl-5-(4-methylphenyl)sulfonyl-4-nitro-imidazole 1-Methyl-4-nitro-5-tosyl-1H-imidazole 1-Methyl-5-(4-methylphenyl)sulfonyl-4-nitroimidazole
Wiley ID 1768948