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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene)-5-[(dimethylamino)methyl]-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-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene)-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 1CoMA1CUAbJ
InChI InChI=1S/C22H21ClFN9O3/c1-32(2)11-18-19(27-31-33(18)21-20(25)29-36-30-21)22(34)28-26-10-13-6-8-14(9-7-13)35-12-15-16(23)4-3-5-17(15)24/h3-10H,11-12H2,1-2H3,(H2,25,29)(H,28,34)/b26-10+
InChIKey XNXUZYGOMNVGAI-NSKAYECMSA-N
Mol Weight 513.92 g/mol
Molecular Formula C22H21ClFN9O3
Exact Mass 513.143991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LiHsPjm5arG
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene)-5-[(dimethylamino)methyl]-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 513.143991432 u
Formula C22H21ClFN9O3
InChI InChI=1S/C22H21ClFN9O3/c1-32(2)11-18-19(27-31-33(18)21-20(25)29-36-30-21)22(34)28-26-10-13-6-8-14(9-7-13)35-12-15-16(23)4-3-5-17(15)24/h3-10H,11-12H2,1-2H3,(H2,25,29)(H,28,34)/b26-10+
InChIKey XNXUZYGOMNVGAI-NSKAYECMSA-N
Molecular Weight 513.921 g/mol
SMILES NC=1C(N2C(=C(C(N\N=C\C3=CC=C(OCC4=C(Cl)C=CC=C4F)C=C3)=O)N=N2)CN(C)C)=NON1