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

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acetic acid, [[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(5-bromo-2-fluorophenyl)methylidene]hydrazide
SpectraBase Compound ID DjiAKg7chFM
InChI InChI=1S/C23H16BrClFN5OS/c24-17-8-11-20(26)16(12-17)13-27-28-21(32)14-33-23-30-29-22(15-6-9-18(25)10-7-15)31(23)19-4-2-1-3-5-19/h1-13H,14H2,(H,28,32)/b27-13+
InChIKey YQPHAHZSOXEDPW-UVHMKAGCSA-N
Mol Weight 544.83 g/mol
Molecular Formula C23H16BrClFN5OS
Exact Mass 542.99315 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID jbsZSjJq0B
Name acetic acid, [[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(5-bromo-2-fluorophenyl)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/C23H16BrClFN5OS/c24-17-8-11-20(26)16(12-17)13-27-28-21(32)14-33-23-30-29-22(15-6-9-18(25)10-7-15)31(23)19-4-2-1-3-5-19/h1-13H,14H2,(H,28,32)/b27-13+
InChIKey YQPHAHZSOXEDPW-UVHMKAGCSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5020
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/10248684