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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-5-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide

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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-5-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID COaa0bS6wWZ
InChI InChI=1S/C21H20N8O4/c1-12-4-7-14(8-5-12)18-17(24-28-29(18)20-19(22)26-33-27-20)21(30)25-23-11-13-6-9-15(31-2)16(10-13)32-3/h4-11H,1-3H3,(H2,22,26)(H,25,30)/b23-11+
InChIKey UBINSCJKCNKLSO-FOKLQQMPSA-N
Mol Weight 448.44 g/mol
Molecular Formula C21H20N8O4
Exact Mass 448.160751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ubWYvXfx6h
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-5-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.160751152 u
Formula C21H20N8O4
InChI InChI=1S/C21H20N8O4/c1-12-4-7-14(8-5-12)18-17(24-28-29(18)20-19(22)26-33-27-20)21(30)25-23-11-13-6-9-15(31-2)16(10-13)32-3/h4-11H,1-3H3,(H2,22,26)(H,25,30)/b23-11+
InChIKey UBINSCJKCNKLSO-FOKLQQMPSA-N
Molecular Weight 448.443 g/mol
SMILES N(\N=C\C1=CC(OC)=C(C=C1)OC)C(C=1N=NN(C=2C(=NON2)N)C1C=1C=CC(=CC1)C)=O