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

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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chlorophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID B4vQp6CnnG1
InChI InChI=1S/C18H13ClN8O2/c19-13-9-5-4-8-12(13)10-21-23-18(28)14-15(11-6-2-1-3-7-11)27(26-22-14)17-16(20)24-29-25-17/h1-10H,(H2,20,24)(H,23,28)/b21-10+
InChIKey HQIDGOJVOMSUSE-UFFVCSGVSA-N
Mol Weight 408.81 g/mol
Molecular Formula C18H13ClN8O2
Exact Mass 408.084999 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JtWDzvEKuep
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chlorophenyl)methylidene]-5-phenyl-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 408.084999389 u
Formula C18H13ClN8O2
InChI InChI=1S/C18H13ClN8O2/c19-13-9-5-4-8-12(13)10-21-23-18(28)14-15(11-6-2-1-3-7-11)27(26-22-14)17-16(20)24-29-25-17/h1-10H,(H2,20,24)(H,23,28)/b21-10+
InChIKey HQIDGOJVOMSUSE-UFFVCSGVSA-N
Molecular Weight 408.809 g/mol
SMILES N(\N=C\C1=C(Cl)C=CC=C1)C(C=1N=NN(C=2C(=NON2)N)C1C=1C=CC=CC1)=O