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5-Acetamido-1-acetyl-1,2,4-triazole-3-carboxylic acid methyl ester
SpectraBase Compound ID 7WZlsQnXkzM
InChI InChI=1S/C8H10N4O4/c1-4(13)9-8-10-6(7(15)16-3)11-12(8)5(2)14/h1-3H3,(H,9,10,11,13)
InChIKey AWFQYAGFTUPVMQ-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 2bmJeDnRVA
Name 5-Acetamido-1-acetyl-1,2,4-triazole-3-carboxylic acid methyl ester
Alternate Name(s) Methyl 5-acetamido-1-acetyl-1,2,4-triazole-3-carboxylate Methyl 5-acetamido-1-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)11-12(8)5(2)14/h1-3H3,(H,9,10,11,13)
InChIKey AWFQYAGFTUPVMQ-UHFFFAOYSA-N
Molecular Weight 226.192 g/mol
SMILES N(c1[n](nc(n1)C(=O)OC)C(=O)C)C(=O)C
SPLASH splash10-0006-3900000000-6c92ed54f54c05855ed6
Source of Spectrum E2-52-198-5
Wiley ID 1556371