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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID Hq2EL27ufhL
InChI InChI=1S/C21H20N8O3S/c1-3-31-15-8-6-14(7-9-15)18-17(24-28-29(18)20-19(22)26-32-27-20)21(30)25-23-12-13-4-10-16(33-2)11-5-13/h4-12H,3H2,1-2H3,(H2,22,26)(H,25,30)/b23-12+
InChIKey KOMDFXKLBYDQSJ-FSJBWODESA-N
Mol Weight 464.5 g/mol
Molecular Formula C21H20N8O3S
Exact Mass 464.137908 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HPCQHFnXEWD
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-{(E)-[4-(methylsulfanyl)phenyl]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/C21H20N8O3S/c1-3-31-15-8-6-14(7-9-15)18-17(24-28-29(18)20-19(22)26-32-27-20)21(30)25-23-12-13-4-10-16(33-2)11-5-13/h4-12H,3H2,1-2H3,(H2,22,26)(H,25,30)/b23-12+
InChIKey KOMDFXKLBYDQSJ-FSJBWODESA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25177
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: D49317; Labnumber: NIG1-3476; SBI_ID: SBI-025181
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-{[4-(methylsulfanyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Temperature 300 °C