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2-{[4-benzyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID C2Zo0Js0SG0
InChI InChI=1S/C23H19BrN6O2S/c24-19-6-7-20(31)18(12-19)13-26-27-21(32)15-33-23-29-28-22(17-8-10-25-11-9-17)30(23)14-16-4-2-1-3-5-16/h1-13,31H,14-15H2,(H,27,32)/b26-13+
InChIKey DMAQDBOMDRMTNV-LGJNPRDNSA-N
Mol Weight 523.41 g/mol
Molecular Formula C23H19BrN6O2S
Exact Mass 522.047358 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E8h02UU4zUc
Name 2-{[4-benzyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]acetohydrazide
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/C23H19BrN6O2S/c24-19-6-7-20(31)18(12-19)13-26-27-21(32)15-33-23-29-28-22(17-8-10-25-11-9-17)30(23)14-16-4-2-1-3-5-16/h1-13,31H,14-15H2,(H,27,32)/b26-13+
InChIKey DMAQDBOMDRMTNV-LGJNPRDNSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_4380
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: 120700; Labnumber: RAL-241; VK_ID: VK-004381
Synonyms 2-{[4-benzyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(5-bromo-2-hydroxyphenyl)methylidene]acetohydrazide
Temperature 318 °C