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acetic acid, [[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(2-chloro-6-fluorophenyl)methylidene]hydrazide

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acetic acid, [[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(2-chloro-6-fluorophenyl)methylidene]hydrazide
SpectraBase Compound ID LG5sGfFbc1G
InChI InChI=1S/C23H16BrClFN5OS/c24-16-11-9-15(10-12-16)22-29-30-23(31(22)17-5-2-1-3-6-17)33-14-21(32)28-27-13-18-19(25)7-4-8-20(18)26/h1-13H,14H2,(H,28,32)/b27-13+
InChIKey NRACXSLKYLVJHM-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 5iYqCB4PT3t
Name acetic acid, [[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(2-chloro-6-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/c24-16-11-9-15(10-12-16)22-29-30-23(31(22)17-5-2-1-3-6-17)33-14-21(32)28-27-13-18-19(25)7-4-8-20(18)26/h1-13H,14H2,(H,28,32)/b27-13+
InChIKey NRACXSLKYLVJHM-UVHMKAGCSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5340
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/10249663