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acetic acid, [[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(5-bromo-2-methoxyphenyl)methylidene]hydrazide

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acetic acid, [[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(5-bromo-2-methoxyphenyl)methylidene]hydrazide
SpectraBase Compound ID KAmzBXonJ67
InChI InChI=1S/C25H22BrN5O2S/c1-17-8-11-21(12-9-17)31-24(18-6-4-3-5-7-18)29-30-25(31)34-16-23(32)28-27-15-19-14-20(26)10-13-22(19)33-2/h3-15H,16H2,1-2H3,(H,28,32)/b27-15+
InChIKey HKJOHUQHWYJDQF-JFLMPSFJSA-N
Mol Weight 536.45 g/mol
Molecular Formula C25H22BrN5O2S
Exact Mass 535.067759 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3AlWUyLrmEN
Name acetic acid, [[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(5-bromo-2-methoxyphenyl)methylidene]hydrazide
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/C25H22BrN5O2S/c1-17-8-11-21(12-9-17)31-24(18-6-4-3-5-7-18)29-30-25(31)34-16-23(32)28-27-15-19-14-20(26)10-13-22(19)33-2/h3-15H,16H2,1-2H3,(H,28,32)/b27-15+
InChIKey HKJOHUQHWYJDQF-JFLMPSFJSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_4749
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: NMR/10248075