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4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 9yCkuDyG4ax
InChI InChI=1S/C21H24N4OS/c1-5-26-18-8-6-7-16(13-18)19-23-24-20(27)25(19)22-14-15-9-11-17(12-10-15)21(2,3)4/h6-14H,5H2,1-4H3,(H,24,27)/b22-14+
InChIKey JZVCFMBYXPVJBD-HYARGMPZSA-N
Mol Weight 380.51 g/mol
Molecular Formula C21H24N4OS
Exact Mass 380.167083 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HbI6qG7cLHw
Name 4-{[(E)-(4-tert-butylphenyl)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/C21H24N4OS/c1-5-26-18-8-6-7-16(13-18)19-23-24-20(27)25(19)22-14-15-9-11-17(12-10-15)21(2,3)4/h6-14H,5H2,1-4H3,(H,24,27)/b22-14+
InChIKey JZVCFMBYXPVJBD-HYARGMPZSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16459
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: D25326; Labnumber: GRES-03547; SBI_ID: SBI-016462
Synonyms 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(4-tert-butylphenyl)methylidene]amino}-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C