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methyl 4-{(E)-[({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoate
SpectraBase Compound ID AXx7HIg5TXD
InChI InChI=1S/C22H23N5O4S/c1-4-27-20(16-9-11-18(30-2)12-10-16)25-26-22(27)32-14-19(28)24-23-13-15-5-7-17(8-6-15)21(29)31-3/h5-13H,4,14H2,1-3H3,(H,24,28)/b23-13+
InChIKey DRPYDMRYMCXBHG-YDZHTSKRSA-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 Dgd2snP0p
Name methyl 4-{(E)-[({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoate
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/c1-4-27-20(16-9-11-18(30-2)12-10-16)25-26-22(27)32-14-19(28)24-23-13-15-5-7-17(8-6-15)21(29)31-3/h5-13H,4,14H2,1-3H3,(H,24,28)/b23-13+
InChIKey DRPYDMRYMCXBHG-YDZHTSKRSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_704
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: C25200; Labnumber: UGRES-09321; SBI_ID: SBI-000706
Synonyms methyl 4-{[({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoate
Temperature 318 °C