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methyl 4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]benzoate

View entire compound with spectra: 2 NMR

methyl 4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]benzoate
SpectraBase Compound ID 37drujb6pAl
InChI InChI=1S/C22H20N8O5/c1-3-34-16-10-8-14(9-11-16)18-17(25-29-30(18)20-19(23)27-35-28-20)21(31)26-24-12-13-4-6-15(7-5-13)22(32)33-2/h4-12H,3H2,1-2H3,(H2,23,27)(H,26,31)/b24-12+
InChIKey MBNGOVCUWKDGAM-WYMPLXKRSA-N
Mol Weight 476.45 g/mol
Molecular Formula C22H20N8O5
Exact Mass 476.155666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KbH16imctbE
Name Methyl 4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.155665771 u
Formula C22H20N8O5
InChI InChI=1S/C22H20N8O5/c1-3-34-16-10-8-14(9-11-16)18-17(25-29-30(18)20-19(23)27-35-28-20)21(31)26-24-12-13-4-6-15(7-5-13)22(32)33-2/h4-12H,3H2,1-2H3,(H2,23,27)(H,26,31)/b24-12+
InChIKey MBNGOVCUWKDGAM-WYMPLXKRSA-N
Molecular Weight 476.453 g/mol
SMILES N(\N=C\C1=CC=C(C(=O)OC)C=C1)C(C=1N=NN(C=2C(=NON2)N)C1C1=CC=C(C=C1)OCC)=O