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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-bromophenyl)methylidene]-5-(methoxymethyl)-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)-(3-bromophenyl)methylidene]-5-(methoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 4sPc7qSANiq
InChI InChI=1S/C14H13BrN8O3/c1-25-7-10-11(18-22-23(10)13-12(16)20-26-21-13)14(24)19-17-6-8-3-2-4-9(15)5-8/h2-6H,7H2,1H3,(H2,16,20)(H,19,24)/b17-6+
InChIKey NZMBPGAVNBGNMS-UBKPWBPPSA-N
Mol Weight 421.22 g/mol
Molecular Formula C14H13BrN8O3
Exact Mass 420.029399 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JeseV6IYkF9
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-bromophenyl)methylidene]-5-(methoxymethyl)-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 420.029399308 u
Formula C14H13BrN8O3
InChI InChI=1S/C14H13BrN8O3/c1-25-7-10-11(18-22-23(10)13-12(16)20-26-21-13)14(24)19-17-6-8-3-2-4-9(15)5-8/h2-6H,7H2,1H3,(H2,16,20)(H,19,24)/b17-6+
InChIKey NZMBPGAVNBGNMS-UBKPWBPPSA-N
Molecular Weight 421.215 g/mol
SMILES N(\N=C\C1=CC(Br)=CC=C1)C(C1=C(N(C=2C(=NON2)N)N=N1)COC)=O