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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-ethoxyphenyl)methylidene]-5-[(methylanilino)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-ethoxyphenyl)methylidene]-5-[(methylanilino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID CfdELLW3Xi1
InChI InChI=1S/C22H23N9O3/c1-3-33-17-11-9-15(10-12-17)13-24-26-22(32)19-18(14-30(2)16-7-5-4-6-8-16)31(29-25-19)21-20(23)27-34-28-21/h4-13H,3,14H2,1-2H3,(H2,23,27)(H,26,32)/b24-13+
InChIKey PBSLCBYSNHJHCP-ZMOGYAJESA-N
Mol Weight 461.49 g/mol
Molecular Formula C22H23N9O3
Exact Mass 461.192386 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Al2lH3gl91N
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-ethoxyphenyl)methylidene]-5-[(methylanilino)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 461.192385634 u
Formula C22H23N9O3
InChI InChI=1S/C22H23N9O3/c1-3-33-17-11-9-15(10-12-17)13-24-26-22(32)19-18(14-30(2)16-7-5-4-6-8-16)31(29-25-19)21-20(23)27-34-28-21/h4-13H,3,14H2,1-2H3,(H2,23,27)(H,26,32)/b24-13+
InChIKey PBSLCBYSNHJHCP-ZMOGYAJESA-N
Molecular Weight 461.486 g/mol
SMILES NC=1C(N2C(=C(C(N\N=C\C=3C=CC(=CC3)OCC)=O)N=N2)CN(C2=CC=CC=C2)C)=NON1