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Ethanimidic acid, N-(1,5-dihydro-5-oxo-3-phenyl-4H-1,2,4-triazol-4-yl)-, ethyl ester
SpectraBase Compound ID CtrP02C3UBC
InChI InChI=1S/C12H14N4O2/c1-3-18-9(2)15-16-11(13-14-12(16)17)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,14,17)/b15-9+
InChIKey KLNSECFKJKKQFB-OQLLNIDSSA-N
Mol Weight 246.27 g/mol
Molecular Formula C12H14N4O2
Exact Mass 246.111676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErR3zkZm5EM
Name Ethanimidic acid, N-(1,5-dihydro-5-oxo-3-phenyl-4H-1,2,4-triazol-4-yl)-, ethyl ester
CAS Registry Number 77441-92-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N4O2
InChI InChI=1S/C12H14N4O2/c1-3-18-9(2)15-16-11(13-14-12(16)17)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,14,17)/b15-9+
InChIKey KLNSECFKJKKQFB-OQLLNIDSSA-N
Molecular Weight 246.270 g/mol
SMILES N1N=C(N(C1=O)\N=C/(OCC)C)c1ccccc1
SPLASH splash10-0fbd-5930000000-de573d80823bab25dc0f
Source of Spectrum Y-17-1695-0
Synonyms Ethyl (1E)-N-(5-oxo-3-phenyl-1,5-dihydro-4H-1,2,4-triazol-4-yl)ethanimidoate Ethyl-N-(3-phenyl-(1H)-1,2,4-triazole-5-one-4-yl)acetamidate
Wiley ID 1248651