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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{2-[(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)-{2-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene)-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID bSi6L05iF4
InChI InChI=1S/C22H21ClFN9O3/c1-32(2)11-17-19(27-31-33(17)21-20(25)29-36-30-21)22(34)28-26-10-13-6-3-4-9-18(13)35-12-14-15(23)7-5-8-16(14)24/h3-10H,11-12H2,1-2H3,(H2,25,29)(H,28,34)/b26-10+
InChIKey XCXNTZIZKFTEGW-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 CjYnTVSFXdI
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{2-[(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)11-17-19(27-31-33(17)21-20(25)29-36-30-21)22(34)28-26-10-13-6-3-4-9-18(13)35-12-14-15(23)7-5-8-16(14)24/h3-10H,11-12H2,1-2H3,(H2,25,29)(H,28,34)/b26-10+
InChIKey XCXNTZIZKFTEGW-NSKAYECMSA-N
Molecular Weight 513.921 g/mol
SMILES N(\N=C\C1=C(OCC=2C(Cl)=CC=CC2F)C=CC=C1)C(C1=C(N(C=2C(=NON2)N)N=N1)CN(C)C)=O