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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID Bx3pXJCF1eI
InChI InChI=1S/C20H16N8O6/c1-31-14-6-10(2-4-12(14)29)8-22-24-20(30)16-17(11-3-5-13-15(7-11)33-9-32-13)28(27-23-16)19-18(21)25-34-26-19/h2-8,29H,9H2,1H3,(H2,21,25)(H,24,30)/b22-8+
InChIKey KNLNBJHKMMUCDP-GZIVZEMBSA-N
Mol Weight 464.4 g/mol
Molecular Formula C20H16N8O6
Exact Mass 464.11928 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ACfXH8CQ3HB
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]-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/C20H16N8O6/c1-31-14-6-10(2-4-12(14)29)8-22-24-20(30)16-17(11-3-5-13-15(7-11)33-9-32-13)28(27-23-16)19-18(21)25-34-26-19/h2-8,29H,9H2,1H3,(H2,21,25)(H,24,30)/b22-8+
InChIKey KNLNBJHKMMUCDP-GZIVZEMBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13754
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: D90250; Labnumber: MROZ-1540; SBI_ID: SBI-013757
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Temperature 318 °C