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3-ETHYL-4-(4-METHOXYCARBONYLBENZYLIDENAMINO)-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-5-ONE
SpectraBase Compound ID 8VoFDQeT4mv
InChI InChI=1S/C13H14N4O3/c1-3-11-15-16-13(19)17(11)14-8-9-4-6-10(7-5-9)12(18)20-2/h4-8H,3H2,1-2H3,(H,16,19)/b14-8+
InChIKey IPUVPAXZEXQHPI-RIYZIHGNSA-N
Mol Weight 274.28 g/mol
Molecular Formula C13H14N4O3
Exact Mass 274.10659 g/mol
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Title Journal or Book Year
Synthesis and GIAO NMR calculations for some new 4,5-dihydro-1H-1,2,4-triazol-5-one derivatives: comparison of theoretical and experimental1H and13C chemical shifts Magnetic Resonance in Chemistry 2005

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