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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1-(1,3-benzodioxol-5-yl)ethylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID FNZQC2Pb7LD
InChI InChI=1S/C21H18N8O4S/c1-12(13-7-8-16-17(9-13)32-11-31-16)23-25-21(30)18-15(10-34-14-5-3-2-4-6-14)29(28-24-18)20-19(22)26-33-27-20/h2-9H,10-11H2,1H3,(H2,22,26)(H,25,30)/b23-12+
InChIKey VCAIZMPGGGTSGW-FSJBWODESA-N
Mol Weight 478.49 g/mol
Molecular Formula C21H18N8O4S
Exact Mass 478.117172 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7dpbiQ6SXmq
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1-(1,3-benzodioxol-5-yl)ethylidene]-5-[(phenylsulfanyl)methyl]-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/C21H18N8O4S/c1-12(13-7-8-16-17(9-13)32-11-31-16)23-25-21(30)18-15(10-34-14-5-3-2-4-6-14)29(28-24-18)20-19(22)26-33-27-20/h2-9H,10-11H2,1H3,(H2,22,26)(H,25,30)/b23-12+
InChIKey VCAIZMPGGGTSGW-FSJBWODESA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23395
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: D37542; Labnumber: NIG1-3400; SBI_ID: SBI-023399
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[1-(1,3-benzodioxol-5-yl)ethylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Temperature 315 °C