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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(methylanilino)methyl]-N'-[(E)-phenylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 6xU4NgETrvJ
InChI InChI=1S/C20H19N9O2/c1-28(15-10-6-3-7-11-15)13-16-17(23-27-29(16)19-18(21)25-31-26-19)20(30)24-22-12-14-8-4-2-5-9-14/h2-12H,13H2,1H3,(H2,21,25)(H,24,30)/b22-12+
InChIKey IJGKMDFTQYSNCO-WSDLNYQXSA-N
Mol Weight 417.43 g/mol
Molecular Formula C20H19N9O2
Exact Mass 417.166171 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 77f6bO2lly4
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(methylanilino)methyl]-N'-[(E)-phenylmethylidene]-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 417.166170886 u
Formula C20H19N9O2
InChI InChI=1S/C20H19N9O2/c1-28(15-10-6-3-7-11-15)13-16-17(23-27-29(16)19-18(21)25-31-26-19)20(30)24-22-12-14-8-4-2-5-9-14/h2-12H,13H2,1H3,(H2,21,25)(H,24,30)/b22-12+
InChIKey IJGKMDFTQYSNCO-WSDLNYQXSA-N
Molecular Weight 417.433 g/mol
SMILES N(\N=C\C1=CC=CC=C1)C(C1=C(N(C=2C(=NON2)N)N=N1)CN(C=1C=CC=CC1)C)=O