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benzoic acid, 4-[(E)-[[[[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazono]methyl]-
SpectraBase Compound ID qUAOdAq8GA
InChI InChI=1S/C25H21N5O3S/c1-17-7-11-19(12-8-17)23-28-29-25(30(23)21-5-3-2-4-6-21)34-16-22(31)27-26-15-18-9-13-20(14-10-18)24(32)33/h2-15H,16H2,1H3,(H,27,31)(H,32,33)/b26-15+
InChIKey KOSWCUNDBHUSMX-CVKSISIWSA-N
Mol Weight 471.54 g/mol
Molecular Formula C25H21N5O3S
Exact Mass 471.136511 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gd3RzhxeSrm
Name benzoic acid, 4-[(E)-[[[[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazono]methyl]-
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/C25H21N5O3S/c1-17-7-11-19(12-8-17)23-28-29-25(30(23)21-5-3-2-4-6-21)34-16-22(31)27-26-15-18-9-13-20(14-10-18)24(32)33/h2-15H,16H2,1H3,(H,27,31)(H,32,33)/b26-15+
InChIKey KOSWCUNDBHUSMX-CVKSISIWSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5224
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/10249088