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

View entire compound with spectra: 2 NMR

acetic acid, [[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(2-chloro-6-fluorophenyl)methylidene]hydrazide
SpectraBase Compound ID GROisCHcxiN
InChI InChI=1S/C26H23ClFN5O4S/c1-35-21-12-16(13-22(36-2)24(21)37-3)25-31-32-26(33(25)17-8-5-4-6-9-17)38-15-23(34)30-29-14-18-19(27)10-7-11-20(18)28/h4-14H,15H2,1-3H3,(H,30,34)/b29-14+
InChIKey GHGDMXMYWLJACL-IPPBACCNSA-N
Mol Weight 556.01 g/mol
Molecular Formula C26H23ClFN5O4S
Exact Mass 555.114331 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E623zff7lk8
Name acetic acid, [[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(2-chloro-6-fluorophenyl)methylidene]hydrazide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H23ClFN5O4S/c1-35-21-12-16(13-22(36-2)24(21)37-3)25-31-32-26(33(25)17-8-5-4-6-9-17)38-15-23(34)30-29-14-18-19(27)10-7-11-20(18)28/h4-14H,15H2,1-3H3,(H,30,34)/b29-14+
InChIKey GHGDMXMYWLJACL-IPPBACCNSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5350
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/10249785