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acetic acid, [[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(4-chloro-3-nitrophenyl)methylidene]hydrazide

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acetic acid, [[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(4-chloro-3-nitrophenyl)methylidene]hydrazide
SpectraBase Compound ID 62buxayS1Ha
InChI InChI=1S/C23H16BrClN6O3S/c24-17-9-7-16(8-10-17)22-28-29-23(30(22)18-4-2-1-3-5-18)35-14-21(32)27-26-13-15-6-11-19(25)20(12-15)31(33)34/h1-13H,14H2,(H,27,32)/b26-13+
InChIKey WJIBACCRHYZDDO-LGJNPRDNSA-N
Mol Weight 571.84 g/mol
Molecular Formula C23H16BrClN6O3S
Exact Mass 569.98765 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IsRxgofMF1U
Name acetic acid, [[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(4-chloro-3-nitrophenyl)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/C23H16BrClN6O3S/c24-17-9-7-16(8-10-17)22-28-29-23(30(22)18-4-2-1-3-5-18)35-14-21(32)27-26-13-15-6-11-19(25)20(12-15)31(33)34/h1-13H,14H2,(H,27,32)/b26-13+
InChIKey WJIBACCRHYZDDO-LGJNPRDNSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5335
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/10249653