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4-benzyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 NMR

4-benzyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID B11YvnOSngw
InChI InChI=1S/C19H20ClN3OS/c1-13(2)24-17-9-8-15(10-16(17)20)11-18-21-22-19(25)23(18)12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKey FICOJZFXPZKVKH-UHFFFAOYSA-N
Mol Weight 373.9 g/mol
Molecular Formula C19H20ClN3OS
Exact Mass 373.101561 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3urzkyWB2GO
Name 4-benzyl-5-(3-chloro-4-isopropoxybenzyl)-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/C19H20ClN3OS/c1-13(2)24-17-9-8-15(10-16(17)20)11-18-21-22-19(25)23(18)12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKey FICOJZFXPZKVKH-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26648
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: D63721; Labnumber: AEKA03-0254; SBI_ID: SBI-026652
Synonyms 4-benzyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 315 °C