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4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID CJP0XiSElWD
InChI InChI=1S/C20H22N4O3S/c1-4-26-16-8-6-7-15(12-16)19-22-23-20(28)24(19)21-13-14-9-10-17(27-5-2)18(11-14)25-3/h6-13H,4-5H2,1-3H3,(H,23,28)/b21-13+
InChIKey CWGABTNNPOQIED-FYJGNVAPSA-N
Mol Weight 398.48 g/mol
Molecular Formula C20H22N4O3S
Exact Mass 398.141262 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DgVMp3qhVmq
Name 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
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/C20H22N4O3S/c1-4-26-16-8-6-7-15(12-16)19-22-23-20(28)24(19)21-13-14-9-10-17(27-5-2)18(11-14)25-3/h6-13H,4-5H2,1-3H3,(H,23,28)/b21-13+
InChIKey CWGABTNNPOQIED-FYJGNVAPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6728
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: D25362; Labnumber: GRES-03589; SBI_ID: SBI-006731
Synonyms 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C