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Methyl 1-Acetyl-3-acetylamino-1H-[1,2,4]triazole-5-carboxylate
SpectraBase Compound ID KwDIjmwh7Ut
InChI InChI=1S/C8H10N4O4/c1-4(13)9-8-10-6(7(15)16-3)12(11-8)5(2)14/h1-3H3,(H,9,11,13)
InChIKey XXDJKOKCTISICI-UHFFFAOYSA-N
Mol Weight 226.19 g/mol
Molecular Formula C8H10N4O4
Exact Mass 226.070205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H72DJx4dekY
Name Methyl 1-Acetyl-3-acetylamino-1H-[1,2,4]triazole-5-carboxylate
Alternate Name(s) Methyl 5-acetamido-2-acetyl-1,2,4-triazole-3-carboxylate Methyl 5-acetamido-2-ethanoyl-1,2,4-triazole-3-carboxylate
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Formula C8H10N4O4
InChI InChI=1S/C8H10N4O4/c1-4(13)9-8-10-6(7(15)16-3)12(11-8)5(2)14/h1-3H3,(H,9,11,13)
InChIKey XXDJKOKCTISICI-UHFFFAOYSA-N
Molecular Weight 226.192 g/mol
SMILES N(c1n[n](c(n1)C(=O)OC)C(=O)C)C(=O)C
SPLASH splash10-0006-4900000000-c1b6c14a18cac6746b35
Source of Spectrum E2-52-198-4
Wiley ID 1556372