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

View entire compound with spectra: 2 NMR

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID CO0QUBpqRV3
InChI InChI=1S/C20H15F3N8O2/c1-11-2-6-13(7-3-11)16-15(26-30-31(16)18-17(24)28-33-29-18)19(32)27-25-10-12-4-8-14(9-5-12)20(21,22)23/h2-10H,1H3,(H2,24,28)(H,27,32)/b25-10+
InChIKey WVPYECQLLKBJIC-KIBLKLHPSA-N
Mol Weight 456.39 g/mol
Molecular Formula C20H15F3N8O2
Exact Mass 456.127006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZHWEXI8C9Y
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}-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 456.127006242 u
Formula C20H15F3N8O2
InChI InChI=1S/C20H15F3N8O2/c1-11-2-6-13(7-3-11)16-15(26-30-31(16)18-17(24)28-33-29-18)19(32)27-25-10-12-4-8-14(9-5-12)20(21,22)23/h2-10H,1H3,(H2,24,28)(H,27,32)/b25-10+
InChIKey WVPYECQLLKBJIC-KIBLKLHPSA-N
Molecular Weight 456.389 g/mol
SMILES N(\N=C\C1=CC=C(C(F)(F)F)C=C1)C(C=1N=NN(C=2C(=NON2)N)C1C1=CC=C(C=C1)C)=O