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beta-alanine, N-(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)-, methyl ester
SpectraBase Compound ID ImO8vh22fid
InChI InChI=1S/C7H11N5O4/c1-11-6(8-4-3-5(13)16-2)9-7(10-11)12(14)15/h3-4H2,1-2H3,(H,8,9,10)
InChIKey JUHZBIAXFVUTCQ-UHFFFAOYSA-N
Mol Weight 229.2 g/mol
Molecular Formula C7H11N5O4
Exact Mass 229.081104 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9STBGJk8upd
Name 3-(2-Methyl-5-nitro-2H-[1,2,4]triazol-3-ylamino)-propionic acid methyl ester
Alternate Name(s) 3-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)amino]propanoic acid methyl ester 3-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)amino]propionic acid methyl ester Methyl 3-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)amino]propanoate Methyl 3-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)amino]propanoate
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Formula C7H11N5O4
InChI InChI=1S/C7H11N5O4/c1-11-6(8-4-3-5(13)16-2)9-7(10-11)12(14)15/h3-4H2,1-2H3,(H,8,9,10)
InChIKey JUHZBIAXFVUTCQ-UHFFFAOYSA-N
Molecular Weight 229.196 g/mol
SMILES N(c1nc(n[n]1C)N(=O)=O)CCC(=O)OC
SPLASH splash10-0a4l-9610000000-bdf43a33460b43bf4025
Wiley ID 1460961