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acetic acid, [[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(4-pyridinyl)ethylidene]hydrazide
SpectraBase Compound ID DPwrhstF9Pw
InChI InChI=1S/C23H19ClN6OS/c1-16(17-11-13-25-14-12-17)26-27-21(31)15-32-23-29-28-22(18-7-9-19(24)10-8-18)30(23)20-5-3-2-4-6-20/h2-14H,15H2,1H3,(H,27,31)/b26-16+
InChIKey TVJUBKOBLMROGJ-WGOQTCKBSA-N
Mol Weight 462.96 g/mol
Molecular Formula C23H19ClN6OS
Exact Mass 462.102958 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A7eJ2r9yxLN
Name acetic acid, [[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(4-pyridinyl)ethylidene]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/C23H19ClN6OS/c1-16(17-11-13-25-14-12-17)26-27-21(31)15-32-23-29-28-22(18-7-9-19(24)10-8-18)30(23)20-5-3-2-4-6-20/h2-14H,15H2,1H3,(H,27,31)/b26-16+
InChIKey TVJUBKOBLMROGJ-WGOQTCKBSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5029
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/10248702