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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(benzyloxy)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)-[4-(benzyloxy)phenyl]methylidene}-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID FiNAg7KbC5B
InChI InChI=1S/C22H23N9O3/c1-30(2)13-18-19(25-29-31(18)21-20(23)27-34-28-21)22(32)26-24-12-15-8-10-17(11-9-15)33-14-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H2,23,27)(H,26,32)/b24-12+
InChIKey WLAOIGXFBZMMCT-WYMPLXKRSA-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 4DglJ2KOPa3
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(benzyloxy)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 461.192385634 u
Formula C22H23N9O3
InChI InChI=1S/C22H23N9O3/c1-30(2)13-18-19(25-29-31(18)21-20(23)27-34-28-21)22(32)26-24-12-15-8-10-17(11-9-15)33-14-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H2,23,27)(H,26,32)/b24-12+
InChIKey WLAOIGXFBZMMCT-WYMPLXKRSA-N
Molecular Weight 461.486 g/mol
SMILES N(\N=C\C=1C=CC(OCC2=CC=CC=C2)=CC1)C(C1=C(N(C=2C(=NON2)N)N=N1)CN(C)C)=O