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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 24deBLFKKBp
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
Molecular Weight 281.286 g/mol
SMILES c1(c(nc[n]1C)N(=O)=O)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-001i-0190000000-f6ae50c5b080237d1351
Source of Spectrum B-40-1424-0
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 1284615