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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,6-dichlorophenyl)methylidene]-5-[(4-fluorophenoxy)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)-(2,6-dichlorophenyl)methylidene]-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 5Gir9kuHZ1M
InChI InChI=1S/C19H13Cl2FN8O3/c20-13-2-1-3-14(21)12(13)8-24-26-19(31)16-15(9-32-11-6-4-10(22)5-7-11)30(29-25-16)18-17(23)27-33-28-18/h1-8H,9H2,(H2,23,27)(H,26,31)/b24-8+
InChIKey LEWFZLABEBYXRF-KTZMUZOWSA-N
Mol Weight 491.27 g/mol
Molecular Formula C19H13Cl2FN8O3
Exact Mass 490.04717 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Crn7L7CqomA
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,6-dichlorophenyl)methylidene]-5-[(4-fluorophenoxy)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 490.047169871 u
Formula C19H13Cl2FN8O3
InChI InChI=1S/C19H13Cl2FN8O3/c20-13-2-1-3-14(21)12(13)8-24-26-19(31)16-15(9-32-11-6-4-10(22)5-7-11)30(29-25-16)18-17(23)27-33-28-18/h1-8H,9H2,(H2,23,27)(H,26,31)/b24-8+
InChIKey LEWFZLABEBYXRF-KTZMUZOWSA-N
Molecular Weight 491.270 g/mol
SMILES N(\N=C\C=1C(Cl)=CC=CC1Cl)C(C1=C(N(C=2C(=NON2)N)N=N1)COC=1C=CC(=CC1)F)=O