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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N'-{(E)-[4-(trifluoromethyl)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-[(4-fluorophenoxy)methyl]-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID Df4iFZJ87B5
InChI InChI=1S/C20H14F4N8O3/c21-13-5-7-14(8-6-13)34-10-15-16(27-31-32(15)18-17(25)29-35-30-18)19(33)28-26-9-11-1-3-12(4-2-11)20(22,23)24/h1-9H,10H2,(H2,25,29)(H,28,33)/b26-9+
InChIKey UHRWPQYIOBPEIS-JQAMDZJQSA-N
Mol Weight 490.38 g/mol
Molecular Formula C20H14F4N8O3
Exact Mass 490.112499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eu3lFuCjwww
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N'-{(E)-[4-(trifluoromethyl)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 490.112498992 u
Formula C20H14F4N8O3
InChI InChI=1S/C20H14F4N8O3/c21-13-5-7-14(8-6-13)34-10-15-16(27-31-32(15)18-17(25)29-35-30-18)19(33)28-26-9-11-1-3-12(4-2-11)20(22,23)24/h1-9H,10H2,(H2,25,29)(H,28,33)/b26-9+
InChIKey UHRWPQYIOBPEIS-JQAMDZJQSA-N
Molecular Weight 490.379 g/mol
SMILES NC=1C(N2C(=C(C(N\N=C\C3=CC=C(C(F)(F)F)C=C3)=O)N=N2)COC2=CC=C(C=C2)F)=NON1