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1-(5-keto-3-phenyl-1H-1,2,4-triazol-4-yl)ethylenimine-2-carboxylic acid methyl ester
SpectraBase Compound ID J38hLKCEdnn
InChI InChI=1S/C12H12N4O3/c1-19-11(17)9-7-15(9)16-10(13-14-12(16)18)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,14,18)
InChIKey XMYCOBMFZSEREM-UHFFFAOYSA-N
Mol Weight 260.25 g/mol
Molecular Formula C12H12N4O3
Exact Mass 260.09094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1i9mauaATLS
Name 1-(5-keto-3-phenyl-1H-1,2,4-triazol-4-yl)ethylenimine-2-carboxylic acid methyl ester
Alternate Name(s) 1-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)-2-aziridinecarboxylic acid methyl ester Methyl 1-(5-oxidanylidene-3-phenyl-1H-1,2,4-triazol-4-yl)aziridine-2-carboxylate Methyl 1-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)aziridine-2-carboxylate
CAS Registry Number 73316-58-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N4O3
InChI InChI=1S/C12H12N4O3/c1-19-11(17)9-7-15(9)16-10(13-14-12(16)18)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,14,18)
InChIKey XMYCOBMFZSEREM-UHFFFAOYSA-N
Molecular Weight 260.253 g/mol
SMILES N1N=C(N(C1=O)N1C(C(=O)OC)C1)c1ccccc1
SPLASH splash10-03di-6950000000-f18f400045d9d8d8952f
Source of Spectrum O-14-376-4
Wiley ID 1263318