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2-METHYL-4-NITRO-5-PHENYLTHIOIMIDAZOLE
SpectraBase Compound ID EGxFbFgNS7z
InChI InChI=1S/C10H9N3O2S/c1-7-11-9(13(14)15)10(12-7)16-8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12)
InChIKey YVSKJVGELRCSJP-UHFFFAOYSA-N
Mol Weight 235.26 g/mol
Molecular Formula C10H9N3O2S
Exact Mass 235.041548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5bPnRwaHEPp
Name 1H-Imidazole, 2-methyl-4-nitro-5-(phenylthio)-
CAS Registry Number 113121-63-4
Comments Less than 3 mono-isotopic peaks
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Formula C10H9N3O2S
InChI InChI=1S/C10H9N3O2S/c1-7-11-9(13(14)15)10(12-7)16-8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12)
InChIKey YVSKJVGELRCSJP-UHFFFAOYSA-N
Molecular Weight 235.261 g/mol
SMILES [nH]1c(nc(c1Sc1ccccc1)N(=O)=O)C
SPLASH splash10-000i-0290000000-b7e51732f9ade26a6fdd
Source of Spectrum B-40-1422-0
Synonyms 2-methyl-4-nitro-1H-imidazol-5-yl phenyl sulfide 2-methyl-4-nitro-5-(phenylsulfanyl)-1H-imidazole 2-Methyl-4-nitro-5-phenylthioimidazole
Wiley ID 1236871