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4-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID LVLKGmbE35b
InChI InChI=1S/C19H20N4O3S/c1-4-26-15-7-5-13(6-8-15)18-21-22-19(27)23(18)20-12-14-11-16(24-2)9-10-17(14)25-3/h5-12H,4H2,1-3H3,(H,22,27)/b20-12+
InChIKey MMWKDKQQEAPDNW-UDWIEESQSA-N
Mol Weight 384.45 g/mol
Molecular Formula C19H20N4O3S
Exact Mass 384.125612 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7CeO0oonm14
Name 4-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-5-(4-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/C19H20N4O3S/c1-4-26-15-7-5-13(6-8-15)18-21-22-19(27)23(18)20-12-14-11-16(24-2)9-10-17(14)25-3/h5-12H,4H2,1-3H3,(H,22,27)/b20-12+
InChIKey MMWKDKQQEAPDNW-UDWIEESQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6741
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: D25395; Labnumber: GRES-03630; SBI_ID: SBI-006744
Synonyms 4-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(2,5-dimethoxyphenyl)methylidene]amino}-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C