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acetic acid, [[5-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(5-bromo-2-fluorophenyl)methylidene]hydrazide
SpectraBase Compound ID BAiWHUO3Oex
InChI InChI=1S/C25H21BrFN5O3S/c1-34-21-11-8-16(13-22(21)35-2)24-30-31-25(32(24)19-6-4-3-5-7-19)36-15-23(33)29-28-14-17-12-18(26)9-10-20(17)27/h3-14H,15H2,1-2H3,(H,29,33)/b28-14+
InChIKey CWGUDFAHPWXLMC-CCVNUDIWSA-N
Mol Weight 570.44 g/mol
Molecular Formula C25H21BrFN5O3S
Exact Mass 569.053252 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7ygitNmo1iz
Name acetic acid, [[5-(3,4-dimethoxyphenyl)-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/C25H21BrFN5O3S/c1-34-21-11-8-16(13-22(21)35-2)24-30-31-25(32(24)19-6-4-3-5-7-19)36-15-23(33)29-28-14-17-12-18(26)9-10-20(17)27/h3-14H,15H2,1-2H3,(H,29,33)/b28-14+
InChIKey CWGUDFAHPWXLMC-CCVNUDIWSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_4986
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/10248641