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1,2-DIMETHYL-4-(4'-METHYLPHENYL)-THIO-5-NITROIMIDAZOLE
SpectraBase Compound ID 89rERZ6HKRF
InChI InChI=1S/C12H13N3O2S/c1-8-4-6-10(7-5-8)18-11-12(15(16)17)14(3)9(2)13-11/h4-7H,1-3H3
InChIKey MJNREPRBIQZSNG-UHFFFAOYSA-N
Mol Weight 263.31 g/mol
Molecular Formula C12H13N3O2S
Exact Mass 263.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JDYJOKFC8nL
Name 1H-Imidazole, 1,2-dimethyl-4-[(4-methylphenyl)thio]-5-nitro-
CAS Registry Number 113139-57-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O2S
InChI InChI=1S/C12H13N3O2S/c1-8-4-6-10(7-5-8)18-11-12(15(16)17)14(3)9(2)13-11/h4-7H,1-3H3
InChIKey MJNREPRBIQZSNG-UHFFFAOYSA-N
Molecular Weight 263.315 g/mol
SMILES c1(c(nc([n]1C)C)Sc1ccc(cc1)C)N(=O)=O
SPLASH splash10-03ds-0290000000-458c3ce33c7f2d778b2f
Source of Spectrum B-40-1422-0
Synonyms 1,2-Dimethyl-4-(4'-methylphenyl)thio-5-nitroimidazole 1,2-Dimethyl-4-[(4-methylphenyl)sulfanyl]-5-nitro-1H-imidazole 1,2-Dimethyl-5-nitro-1H-imidazol-4-yl 4-methylphenyl sulfide
Wiley ID 1266713