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2-METHYL-5-(4'-METHYLPHENYL)-THIO-4-NITROIMIDAZOLE
SpectraBase Compound ID 217g65auZKu
InChI InChI=1S/C11H11N3O2S/c1-7-3-5-9(6-4-7)17-11-10(14(15)16)12-8(2)13-11/h3-6H,1-2H3,(H,12,13)
InChIKey NPKUYPNBXTZIPY-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 CfrXfHbJxNV
Name 1H-Imidazole, 2-methyl-4-[(4-methylphenyl)thio]-5-nitro-
CAS Registry Number 113121-66-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O2S
InChI InChI=1S/C11H11N3O2S/c1-7-3-5-9(6-4-7)17-11-10(14(15)16)12-8(2)13-11/h3-6H,1-2H3,(H,12,13)
InChIKey NPKUYPNBXTZIPY-UHFFFAOYSA-N
Molecular Weight 249.288 g/mol
SMILES [nH]1c(nc(c1N(=O)=O)Sc1ccc(cc1)C)C
SPLASH splash10-0w2d-0890000000-812692cf41437840ccc4
Source of Spectrum B-40-1422-0
Synonyms 2-Methyl-4-[(4-methylphenyl)sulfanyl]-5-nitro-1H-imidazole 2-Methyl-5-(4'-methylphenyl)thio-4-nitroimidazole 2-Methyl-5-nitro-1H-imidazol-4-yl 4-methylphenyl sulfide
Wiley ID 1251985