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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID EjBdN4sIMdk
InChI InChI=1S/C23H19ClN10O2/c1-13-8-10-15(11-9-13)19-18(27-32-34(19)22-21(25)30-36-31-22)23(35)28-26-12-17-14(2)29-33(20(17)24)16-6-4-3-5-7-16/h3-12H,1-2H3,(H2,25,30)(H,28,35)/b26-12+
InChIKey ZMHIJYGZMUGNES-RPPGKUMJSA-N
Mol Weight 502.93 g/mol
Molecular Formula C23H19ClN10O2
Exact Mass 502.138098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7SXzXpTHyOJ
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)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 502.138097590 u
Formula C23H19ClN10O2
InChI InChI=1S/C23H19ClN10O2/c1-13-8-10-15(11-9-13)19-18(27-32-34(19)22-21(25)30-36-31-22)23(35)28-26-12-17-14(2)29-33(20(17)24)16-6-4-3-5-7-16/h3-12H,1-2H3,(H2,25,30)(H,28,35)/b26-12+
InChIKey ZMHIJYGZMUGNES-RPPGKUMJSA-N
Molecular Weight 502.926 g/mol
SMILES N(\N=C\C1=C(N(C=2C=CC=CC2)N=C1C)Cl)C(C=1N=NN(C=2C(=NON2)N)C1C1=CC=C(C=C1)C)=O