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acetonitrile, [(2-methyl-4-nitro-1H-imidazol-5-yl)thio]-
SpectraBase Compound ID 10HaZNhchSI
InChI InChI=1S/C6H6N4O2S/c1-4-8-5(10(11)12)6(9-4)13-3-2-7/h3H2,1H3,(H,8,9)
InChIKey VZSGONQDUWUESD-UHFFFAOYSA-N
Mol Weight 198.2 g/mol
Molecular Formula C6H6N4O2S
Exact Mass 198.021147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LItiMUrxFtZ
Name (2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N4O2S
InChI InChI=1S/C6H6N4O2S/c1-4-8-5(10(11)12)6(9-4)13-3-2-7/h3H2,1H3,(H,8,9)
InChIKey VZSGONQDUWUESD-UHFFFAOYSA-N
Molecular Weight 198.200 g/mol
SMILES [nH]1c(nc(c1SCC#N)N(=O)=O)C
SPLASH splash10-0600-9300000000-b6419b96ee6154df1a67
Synonyms 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetonitrile 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]ethanenitrile 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)thio]acetonitrile [(2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetonitrile
Wiley ID 1448784