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4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID BwopYbTmuHz
InChI InChI=1S/C20H22N4OS/c1-20(2,3)15-11-9-14(10-12-15)13-21-24-18(22-23-19(24)26)16-7-5-6-8-17(16)25-4/h5-13H,1-4H3,(H,23,26)/b21-13+
InChIKey MYTKFWLXDPOZRI-FYJGNVAPSA-N
Mol Weight 366.48 g/mol
Molecular Formula C20H22N4OS
Exact Mass 366.151433 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IS7DHYtCgwW
Name 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(2-methoxyphenyl)-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/C20H22N4OS/c1-20(2,3)15-11-9-14(10-12-15)13-21-24-18(22-23-19(24)26)16-7-5-6-8-17(16)25-4/h5-13H,1-4H3,(H,23,26)/b21-13+
InChIKey MYTKFWLXDPOZRI-FYJGNVAPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5443
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: D25145; Labnumber: GRES-03183; SBI_ID: SBI-005445
Synonyms 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(4-tert-butylphenyl)methylidene]amino}-5-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C