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(2Z,2'Z)-Diethyl 3,3'-(1-phenyl-1H-1,2,4-triazole-3,5diyl)bis(azanediyl)dibut-2-enoate
SpectraBase Compound ID 1NqYjVPg0ff
InChI InChI=1S/C20H25N5O4/c1-5-28-17(26)12-14(3)21-19-23-20(22-15(4)13-18(27)29-6-2)25(24-19)16-10-8-7-9-11-16/h7-13H,5-6H2,1-4H3,(H2,21,22,23,24)/b14-12-,15-13-
InChIKey AZPSNCOYSBKFRO-DZDAAMPGSA-N
Mol Weight 399.45 g/mol
Molecular Formula C20H25N5O4
Exact Mass 399.190654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Hd8BEVQZE9
Name (2Z,2'Z)-Diethyl 3,3'-(1-phenyl-1H-1,2,4-triazole-3,5diyl)bis(azanediyl)dibut-2-enoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.190654301 u
Formula C20H25N5O4
InChI InChI=1S/C20H25N5O4/c1-5-28-17(26)12-14(3)21-19-23-20(22-15(4)13-18(27)29-6-2)25(24-19)16-10-8-7-9-11-16/h7-13H,5-6H2,1-4H3,(H2,21,22,23,24)/b14-12-,15-13-
InChIKey AZPSNCOYSBKFRO-DZDAAMPGSA-N
Molecular Weight 399.451 g/mol
SMILES C1(=NC(N\C(=C/C(=O)OCC)C)=NN1C1=CC=CC=C1)N\C(=C/C(=O)OCC)C