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1,3-Diethyl 2-([(5-amino-1-phenyl-1,2,4-triazol-3-yl)amino]methylidene)propanedioate

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1,3-Diethyl 2-([(5-amino-1-phenyl-1,2,4-triazol-3-yl)amino]methylidene)propanedioate
SpectraBase Compound ID qVe878rkuJ
InChI InChI=1S/C16H19N5O4/c1-3-24-13(22)12(14(23)25-4-2)10-18-16-19-15(17)21(20-16)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H3,17,18,19,20)
InChIKey QKEPTWJIUNTHQB-UHFFFAOYSA-N
Mol Weight 345.36 g/mol
Molecular Formula C16H19N5O4
Exact Mass 345.143704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5nSnCasR9o8
Name 1,3-Diethyl 2-([(5-amino-1-phenyl-1,2,4-triazol-3-yl)amino]methylidene)propanedioate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.143704108 u
Formula C16H19N5O4
InChI InChI=1S/C16H19N5O4/c1-3-24-13(22)12(14(23)25-4-2)10-18-16-19-15(17)21(20-16)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H3,17,18,19,20)
InChIKey QKEPTWJIUNTHQB-UHFFFAOYSA-N
Molecular Weight 345.359 g/mol
SMILES C1=CC=CC=C1N1N=C(NC=C(C(=O)OCC)C(=O)OCC)N=C1N