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acetic acid, [[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E,2Z)-2-chloro-3-phenyl-2-propenylidene]hydrazide

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acetic acid, [[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E,2Z)-2-chloro-3-phenyl-2-propenylidene]hydrazide
SpectraBase Compound ID 6EOsSOY10nT
InChI InChI=1S/C22H22ClN5O2S/c1-3-28-21(17-9-11-19(30-2)12-10-17)26-27-22(28)31-15-20(29)25-24-14-18(23)13-16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3,(H,25,29)/b18-13-,24-14+
InChIKey UJWRXCGZIRTHGW-ZRLAZVNZSA-N
Mol Weight 455.96 g/mol
Molecular Formula C22H22ClN5O2S
Exact Mass 455.118274 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 98uZV9TXFZl
Name acetic acid, [[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E,2Z)-2-chloro-3-phenyl-2-propenylidene]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/C22H22ClN5O2S/c1-3-28-21(17-9-11-19(30-2)12-10-17)26-27-22(28)31-15-20(29)25-24-14-18(23)13-16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3,(H,25,29)/b18-13-,24-14+
InChIKey UJWRXCGZIRTHGW-ZRLAZVNZSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5717
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/10257992