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1,2-DIMETHYL-5-NITRO-4-PHENYLTHIOIMIDAZOLE
SpectraBase Compound ID FSjqah0oEZ6
InChI InChI=1S/C11H11N3O2S/c1-8-12-10(11(13(8)2)14(15)16)17-9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey UQWLNHRUZATNTH-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 1b0pX8fC88
Name 1H-Imidazole, 1,2-dimethyl-5-nitro-4-(phenylthio)-
CAS Registry Number 113121-64-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O2S
InChI InChI=1S/C11H11N3O2S/c1-8-12-10(11(13(8)2)14(15)16)17-9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey UQWLNHRUZATNTH-UHFFFAOYSA-N
Molecular Weight 249.288 g/mol
SMILES c1(c(nc([n]1C)C)Sc1ccccc1)N(=O)=O
SPLASH splash10-0udj-0090000000-e4ebb50610319086087e
Source of Spectrum B-40-1422-0
Synonyms 1,2-Dimethyl-5-nitro-1H-imidazol-4-yl phenyl sulfide 1,2-Dimethyl-5-nitro-4-(phenylsulfanyl)-1H-imidazole 1,2-Dimethyl-5-nitro-4-phenylthioimidazole
Wiley ID 1251984