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4-({(E)-[3-(benzyloxy)-4-methoxyphenyl]methylidene}amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID Du4zR4poYmU
InChI InChI=1S/C25H24N4O3S/c1-3-31-21-11-7-10-20(15-21)24-27-28-25(33)29(24)26-16-19-12-13-22(30-2)23(14-19)32-17-18-8-5-4-6-9-18/h4-16H,3,17H2,1-2H3,(H,28,33)/b26-16+
InChIKey YGUCHPFPHNQYOL-WGOQTCKBSA-N
Mol Weight 460.55 g/mol
Molecular Formula C25H24N4O3S
Exact Mass 460.156912 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KTaYMZZi4Wh
Name 4-({(E)-[3-(benzyloxy)-4-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/C25H24N4O3S/c1-3-31-21-11-7-10-20(15-21)24-27-28-25(33)29(24)26-16-19-12-13-22(30-2)23(14-19)32-17-18-8-5-4-6-9-18/h4-16H,3,17H2,1-2H3,(H,28,33)/b26-16+
InChIKey YGUCHPFPHNQYOL-WGOQTCKBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16462
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: D25331; Labnumber: GRES-03553; SBI_ID: SBI-016465
Synonyms 4-({(E)-[3-(benzyloxy)-4-methoxyphenyl]methylidene}amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-({[3-(benzyloxy)-4-methoxyphenyl]methylidene}amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C