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

View entire compound with spectra: 2 NMR

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-5-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 2N4pvY85fPL
InChI InChI=1S/C20H16N8O4/c1-11-2-5-13(6-3-11)17-16(23-27-28(17)19-18(21)25-32-26-19)20(29)24-22-9-12-4-7-14-15(8-12)31-10-30-14/h2-9H,10H2,1H3,(H2,21,25)(H,24,29)/b22-9+
InChIKey ABZZYIVILWCYGI-LSFURLLWSA-N
Mol Weight 432.4 g/mol
Molecular Formula C20H16N8O4
Exact Mass 432.129451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2OnaR88IBp5
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-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 432.129451023 u
Formula C20H16N8O4
InChI InChI=1S/C20H16N8O4/c1-11-2-5-13(6-3-11)17-16(23-27-28(17)19-18(21)25-32-26-19)20(29)24-22-9-12-4-7-14-15(8-12)31-10-30-14/h2-9H,10H2,1H3,(H2,21,25)(H,24,29)/b22-9+
InChIKey ABZZYIVILWCYGI-LSFURLLWSA-N
Molecular Weight 432.400 g/mol
SMILES N(\N=C\C1=CC=2OCOC2C=C1)C(C=1N=NN(C=2C(=NON2)N)C1C=1C=CC(=CC1)C)=O