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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-hydroxyphenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID Geyv1cVSOWV
InChI InChI=1S/C20H18N8O3S/c1-12-5-7-15(8-6-12)32-11-16-17(23-27-28(16)19-18(21)25-31-26-19)20(30)24-22-10-13-3-2-4-14(29)9-13/h2-10,29H,11H2,1H3,(H2,21,25)(H,24,30)/b22-10+
InChIKey IWRUZMARYHCWAI-LSHDLFTRSA-N
Mol Weight 450.48 g/mol
Molecular Formula C20H18N8O3S
Exact Mass 450.122258 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FiGj9NnRolY
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-hydroxyphenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]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/C20H18N8O3S/c1-12-5-7-15(8-6-12)32-11-16-17(23-27-28(16)19-18(21)25-31-26-19)20(30)24-22-10-13-3-2-4-14(29)9-13/h2-10,29H,11H2,1H3,(H2,21,25)(H,24,30)/b22-10+
InChIKey IWRUZMARYHCWAI-LSHDLFTRSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13106
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: D79969; Labnumber: NIG2-0337; SBI_ID: SBI-013109
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3-hydroxyphenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Temperature 315 °C