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(3-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-acetic acid
SpectraBase Compound ID BSmlOKbb3Tv
InChI InChI=1S/C6H7N3O4S/c1-8-3-7-5(9(12)13)6(8)14-2-4(10)11/h3H,2H2,1H3,(H,10,11)
InChIKey TUQQNQSADKYHNI-UHFFFAOYSA-N
Mol Weight 217.2 g/mol
Molecular Formula C6H7N3O4S
Exact Mass 217.015727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IH6MCdGOwKY
Name (3-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-acetic acid
Alternate Name(s) [(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetic acid 2-(3-Methyl-5-nitro-imidazol-4-yl)sulfanylacetic acid 2-(3-Methyl-5-nitroimidazol-4-yl)sulfanylacetic acid 2-[(3-methyl-5-nitro-4-imidazolyl)thio]acetic acid 2-(3-Methyl-5-nitro-imidazol-4-yl)sulfanylethanoic acid 2-[(3-methyl-5-nitro-imidazol-4-yl)thio]acetic acid
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Formula C6H7N3O4S
InChI InChI=1S/C6H7N3O4S/c1-8-3-7-5(9(12)13)6(8)14-2-4(10)11/h3H,2H2,1H3,(H,10,11)
InChIKey TUQQNQSADKYHNI-UHFFFAOYSA-N
Molecular Weight 217.199 g/mol
SMILES OC(CSc1c(nc[n]1C)N(=O)=O)=O
SPLASH splash10-000f-9200000000-a44466f49606ed9cc84f
Source of Spectrum IY-3-54-0
Wiley ID 1718002