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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene)-5-propyl-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)-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene)-5-propyl-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID FF2JNkGLIk
InChI InChI=1S/C22H20ClFN8O3/c1-2-5-18-19(27-31-32(18)21-20(25)29-35-30-21)22(33)28-26-11-13-6-3-7-14(10-13)34-12-15-16(23)8-4-9-17(15)24/h3-4,6-11H,2,5,12H2,1H3,(H2,25,29)(H,28,33)/b26-11+
InChIKey DAHSZEZGFMJGSH-KBKYJPHKSA-N
Mol Weight 498.91 g/mol
Molecular Formula C22H20ClFN8O3
Exact Mass 498.133092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9aS9tG4k2Pp
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene)-5-propyl-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 498.133092396 u
Formula C22H20ClFN8O3
InChI InChI=1S/C22H20ClFN8O3/c1-2-5-18-19(27-31-32(18)21-20(25)29-35-30-21)22(33)28-26-11-13-6-3-7-14(10-13)34-12-15-16(23)8-4-9-17(15)24/h3-4,6-11H,2,5,12H2,1H3,(H2,25,29)(H,28,33)/b26-11+
InChIKey DAHSZEZGFMJGSH-KBKYJPHKSA-N
Molecular Weight 498.906 g/mol
SMILES N(\N=C\C1=CC(OCC=2C(Cl)=CC=CC2F)=CC=C1)C(C=1N=NN(C=2C(=NON2)N)C1CCC)=O