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1H-Imidazole, 2-methyl-4-(methylthio)-5-nitro-
SpectraBase Compound ID K60aln54lZM
InChI InChI=1S/C5H7N3O2S/c1-3-6-4(8(9)10)5(7-3)11-2/h1-2H3,(H,6,7)
InChIKey YTOWBJZYCMGYKV-UHFFFAOYSA-N
Mol Weight 173.19 g/mol
Molecular Formula C5H7N3O2S
Exact Mass 173.025898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPg8Dfj9ECe
Name 1H-Imidazole, 2-methyl-4-(methylthio)-5-nitro-
CAS Registry Number 90521-98-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H7N3O2S
InChI InChI=1S/C5H7N3O2S/c1-3-6-4(8(9)10)5(7-3)11-2/h1-2H3,(H,6,7)
InChIKey YTOWBJZYCMGYKV-UHFFFAOYSA-N
Molecular Weight 173.190 g/mol
SMILES [nH]1c(nc(c1N(=O)=O)SC)C
SPLASH splash10-00b9-0900000000-33267c0ab9220f83bdda
Source of Spectrum B-40-1420-0
Synonyms 2-Methyl-4-(methylsulfanyl)-5-nitro-1H-imidazole 2-Methyl-5-(methylthio)-4-nitroimidazole Methyl 2-methyl-5-nitro-1H-imidazol-4-yl sulfide
Wiley ID 1169577