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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 51oFsjRkWja
InChI InChI=1S/C21H18N8O5/c1-2-31-14-6-4-13(5-7-14)18-17(24-28-29(18)20-19(22)26-34-27-20)21(30)25-23-10-12-3-8-15-16(9-12)33-11-32-15/h3-10H,2,11H2,1H3,(H2,22,26)(H,25,30)/b23-10+
InChIKey BEKZTYVJXYUVTQ-AUEPDCJTSA-N
Mol Weight 462.43 g/mol
Molecular Formula C21H18N8O5
Exact Mass 462.140016 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 10Xm2SxgK3D
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H18N8O5/c1-2-31-14-6-4-13(5-7-14)18-17(24-28-29(18)20-19(22)26-34-27-20)21(30)25-23-10-12-3-8-15-16(9-12)33-11-32-15/h3-10H,2,11H2,1H3,(H2,22,26)(H,25,30)/b23-10+
InChIKey BEKZTYVJXYUVTQ-AUEPDCJTSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25126
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D49231; Labnumber: NIG1-2839; SBI_ID: SBI-025130
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[1,3-benzodioxol-5-ylmethylidene]-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Temperature 300 °C