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4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID L7bTmAGynNk
InChI InChI=1S/C19H19ClN4S/c1-19(2,3)15-9-7-13(8-10-15)12-21-24-17(22-23-18(24)25)14-5-4-6-16(20)11-14/h4-12H,1-3H3,(H,23,25)/b21-12+
InChIKey DLPMWNKFAHSQQT-CIAFOILYSA-N
Mol Weight 370.9 g/mol
Molecular Formula C19H19ClN4S
Exact Mass 370.101896 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2713MaQdNzp
Name 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(3-chlorophenyl)-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/C19H19ClN4S/c1-19(2,3)15-9-7-13(8-10-15)12-21-24-17(22-23-18(24)25)14-5-4-6-16(20)11-14/h4-12H,1-3H3,(H,23,25)/b21-12+
InChIKey DLPMWNKFAHSQQT-CIAFOILYSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16556
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: D24981; Labnumber: GRES-03001; SBI_ID: SBI-016559
Synonyms 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(4-tert-butylphenyl)methylidene]amino}-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Temperature 308 °C