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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-(3,4,5-trimethoxyphenyl)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-[(dimethylamino)methyl]-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID Y2cES8qZUB
InChI InChI=1S/C18H23N9O5/c1-26(2)9-11-14(21-25-27(11)17-16(19)23-32-24-17)18(28)22-20-8-10-6-12(29-3)15(31-5)13(7-10)30-4/h6-8H,9H2,1-5H3,(H2,19,23)(H,22,28)/b20-8+
InChIKey MUQKMJBGSCGEQR-DNTJNYDQSA-N
Mol Weight 445.44 g/mol
Molecular Formula C18H23N9O5
Exact Mass 445.182215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ATybeTSEgFy
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-(3,4,5-trimethoxyphenyl)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 445.182214872 u
Formula C18H23N9O5
InChI InChI=1S/C18H23N9O5/c1-26(2)9-11-14(21-25-27(11)17-16(19)23-32-24-17)18(28)22-20-8-10-6-12(29-3)15(31-5)13(7-10)30-4/h6-8H,9H2,1-5H3,(H2,19,23)(H,22,28)/b20-8+
InChIKey MUQKMJBGSCGEQR-DNTJNYDQSA-N
Molecular Weight 445.440 g/mol
SMILES N(\N=C\C=1C=C(OC)C(=C(C1)OC)OC)C(C1=C(N(C=2C(=NON2)N)N=N1)CN(C)C)=O