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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-((E)-{3-[(4-fluorobenzyl)oxy]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-[(dimethylamino)methyl]-N'-((E)-{3-[(4-fluorobenzyl)oxy]phenyl}methylidene)-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID CMjsJvVjqcJ
InChI InChI=1S/C22H22FN9O3/c1-31(2)12-18-19(26-30-32(18)21-20(24)28-35-29-21)22(33)27-25-11-15-4-3-5-17(10-15)34-13-14-6-8-16(23)9-7-14/h3-11H,12-13H2,1-2H3,(H2,24,28)(H,27,33)/b25-11+
InChIKey RVWBTXUEYTVJEH-OPEKNORGSA-N
Mol Weight 479.48 g/mol
Molecular Formula C22H22FN9O3
Exact Mass 479.182964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LjMtiwnaSCK
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-((E)-{3-[(4-fluorobenzyl)oxy]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 479.182963764 u
Formula C22H22FN9O3
InChI InChI=1S/C22H22FN9O3/c1-31(2)12-18-19(26-30-32(18)21-20(24)28-35-29-21)22(33)27-25-11-15-4-3-5-17(10-15)34-13-14-6-8-16(23)9-7-14/h3-11H,12-13H2,1-2H3,(H2,24,28)(H,27,33)/b25-11+
InChIKey RVWBTXUEYTVJEH-OPEKNORGSA-N
Molecular Weight 479.476 g/mol
SMILES NC=1C(N2C(=C(C(N\N=C\C3=CC(OCC=4C=CC(=CC4)F)=CC=C3)=O)N=N2)CN(C)C)=NON1