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1-METHYL-4-(4'-METHYLPHENYL)-THIO-5-NITROIMIDAZOLE
SpectraBase Compound ID IEUEbTQfKHH
InChI InChI=1S/C11H11N3O2S/c1-8-3-5-9(6-4-8)17-10-11(14(15)16)13(2)7-12-10/h3-7H,1-2H3
InChIKey SLCXJPWKWHBUTJ-UHFFFAOYSA-N
Mol Weight 249.29 g/mol
Molecular Formula C11H11N3O2S
Exact Mass 249.057198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6hJuIMiere
Name 1H-Imidazole, 1-methyl-4-[(4-methylphenyl)thio]-5-nitro-
CAS Registry Number 113121-62-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O2S
InChI InChI=1S/C11H11N3O2S/c1-8-3-5-9(6-4-8)17-10-11(14(15)16)13(2)7-12-10/h3-7H,1-2H3
InChIKey SLCXJPWKWHBUTJ-UHFFFAOYSA-N
Molecular Weight 249.288 g/mol
SMILES c1(c(nc[n]1C)Sc1ccc(cc1)C)N(=O)=O
SPLASH splash10-0udi-0090000000-09ad9040f2c21d44799b
Source of Spectrum B-40-1421-0
Synonyms 1-Methyl-4-(4'-methylphenyl)thio-5-nitroimidazole 1-Methyl-4-[(4-methylphenyl)sulfanyl]-5-nitro-1H-imidazole 1-Methyl-5-nitro-1H-imidazol-4-yl 4-methylphenyl sulfide
Wiley ID 1251983