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1-METHYL-5-(4'-METHYLPHENYL)-THIO-4-NITROIMIDAZOLE
SpectraBase Compound ID Bb5UaUe8ZfP
InChI InChI=1S/C11H11N3O2S/c1-8-3-5-9(6-4-8)17-11-10(14(15)16)12-7-13(11)2/h3-7H,1-2H3
InChIKey XGLPUNTVRWMETB-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 Doopmpic2ml
Name 1-Methyl-4-nitro-5-(p-tolylsulfanyl)imidazole
CAS Registry Number 18383-80-7
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)17-11-10(14(15)16)12-7-13(11)2/h3-7H,1-2H3
InChIKey XGLPUNTVRWMETB-UHFFFAOYSA-N
Molecular Weight 249.288 g/mol
SMILES c1(c([n](C)cn1)Sc1ccc(cc1)C)N(=O)=O
SPLASH splash10-0udj-0190000000-7c7939b5a37bcf2009f5
Source of Spectrum B-40-1421-0
Synonyms 1-Methyl-4-nitro-5-(p-tolylthio)imidazole 1-Methyl-5-(4-methylphenyl)sulfanyl-4-nitro-imidazole 1-Methyl-5-[(4-methylphenyl)thio]-4-nitroimidazole
Wiley ID 1251981