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

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acetic acid, [[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[2-(carboxymethoxy)phenyl]methylidene]hydrazide
SpectraBase Compound ID 2p4TyFk0EjI
InChI InChI=1S/C22H23N5O5S/c1-3-27-21(15-8-10-17(31-2)11-9-15)25-26-22(27)33-14-19(28)24-23-12-16-6-4-5-7-18(16)32-13-20(29)30/h4-12H,3,13-14H2,1-2H3,(H,24,28)(H,29,30)/b23-12+
InChIKey NWEUIWXQYCJPKC-FSJBWODESA-N
Mol Weight 469.52 g/mol
Molecular Formula C22H23N5O5S
Exact Mass 469.14199 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2RFonoG3JjZ
Name acetic acid, [[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[2-(carboxymethoxy)phenyl]methylidene]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/C22H23N5O5S/c1-3-27-21(15-8-10-17(31-2)11-9-15)25-26-22(27)33-14-19(28)24-23-12-16-6-4-5-7-18(16)32-13-20(29)30/h4-12H,3,13-14H2,1-2H3,(H,24,28)(H,29,30)/b23-12+
InChIKey NWEUIWXQYCJPKC-FSJBWODESA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5724
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/10259016