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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{2-[(4-fluorobenzyl)oxy]phenyl}methylidene)-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)-{2-[(4-fluorobenzyl)oxy]phenyl}methylidene)-5-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 3QQ3ZMdpedH
InChI InChI=1S/C26H21FN8O3/c1-16-6-10-18(11-7-16)23-22(30-34-35(23)25-24(28)32-38-33-25)26(36)31-29-14-19-4-2-3-5-21(19)37-15-17-8-12-20(27)13-9-17/h2-14H,15H2,1H3,(H2,28,32)(H,31,36)/b29-14+
InChIKey AEVVRJGGQQPOEC-IPPBACCNSA-N
Mol Weight 512.51 g/mol
Molecular Formula C26H21FN8O3
Exact Mass 512.172065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D7q0sdR7jMl
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{2-[(4-fluorobenzyl)oxy]phenyl}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 512.172064728 u
Formula C26H21FN8O3
InChI InChI=1S/C26H21FN8O3/c1-16-6-10-18(11-7-16)23-22(30-34-35(23)25-24(28)32-38-33-25)26(36)31-29-14-19-4-2-3-5-21(19)37-15-17-8-12-20(27)13-9-17/h2-14H,15H2,1H3,(H2,28,32)(H,31,36)/b29-14+
InChIKey AEVVRJGGQQPOEC-IPPBACCNSA-N
Molecular Weight 512.505 g/mol
SMILES N(\N=C\C1=C(OCC=2C=CC(=CC2)F)C=CC=C1)C(C=1N=NN(C=2C(=NON2)N)C1C1=CC=C(C=C1)C)=O