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(2-{(E)-[({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid
SpectraBase Compound ID 9DJSI3d8uoI
InChI InChI=1S/C22H23N5O4S/c1-3-27-21(16-10-8-15(2)9-11-16)25-26-22(27)32-14-19(28)24-23-12-17-6-4-5-7-18(17)31-13-20(29)30/h4-12H,3,13-14H2,1-2H3,(H,24,28)(H,29,30)/b23-12+
InChIKey IZLXFGCJQFSTJW-FSJBWODESA-N
Mol Weight 453.52 g/mol
Molecular Formula C22H23N5O4S
Exact Mass 453.147075 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2JcG5zd1VJa
Name (2-{(E)-[({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid
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/C22H23N5O4S/c1-3-27-21(16-10-8-15(2)9-11-16)25-26-22(27)32-14-19(28)24-23-12-17-6-4-5-7-18(17)31-13-20(29)30/h4-12H,3,13-14H2,1-2H3,(H,24,28)(H,29,30)/b23-12+
InChIKey IZLXFGCJQFSTJW-FSJBWODESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_623
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: C24482; Labnumber: UGRES-05975; SBI_ID: SBI-000625
Synonyms (2-{[({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid
Temperature 318 °C