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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{4-[(4-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)-{4-[(4-fluorobenzyl)oxy]phenyl}methylidene)-5-propyl-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 277YJgIIGKy
InChI InChI=1S/C22H21FN8O3/c1-2-3-18-19(26-30-31(18)21-20(24)28-34-29-21)22(32)27-25-12-14-6-10-17(11-7-14)33-13-15-4-8-16(23)9-5-15/h4-12H,2-3,13H2,1H3,(H2,24,28)(H,27,32)/b25-12+
InChIKey XAKKBACGVIWQSM-BRJLIKDPSA-N
Mol Weight 464.46 g/mol
Molecular Formula C22H21FN8O3
Exact Mass 464.172065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3DMppXk9iBP
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{4-[(4-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 464.172064728 u
Formula C22H21FN8O3
InChI InChI=1S/C22H21FN8O3/c1-2-3-18-19(26-30-31(18)21-20(24)28-34-29-21)22(32)27-25-12-14-6-10-17(11-7-14)33-13-15-4-8-16(23)9-5-15/h4-12H,2-3,13H2,1H3,(H2,24,28)(H,27,32)/b25-12+
InChIKey XAKKBACGVIWQSM-BRJLIKDPSA-N
Molecular Weight 464.461 g/mol
SMILES N(\N=C\C=1C=CC(OCC=2C=CC(=CC2)F)=CC1)C(C=1N=NN(C=2C(=NON2)N)C1CCC)=O