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5-(4-isopropoxyphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 NMR

5-(4-isopropoxyphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID At9OD99vhN3
InChI InChI=1S/C17H17N3OS/c1-12(2)21-15-10-8-13(9-11-15)16-18-19-17(22)20(16)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,22)
InChIKey YJUCSKLTUKDLTO-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C17H17N3OS
Exact Mass 311.109233 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HUs4vPxotwf
Name 5-(4-isopropoxyphenyl)-4-phenyl-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/C17H17N3OS/c1-12(2)21-15-10-8-13(9-11-15)16-18-19-17(22)20(16)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,22)
InChIKey YJUCSKLTUKDLTO-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26639
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: D63709; Labnumber: AEKA03-0140; SBI_ID: SBI-026643
Synonyms 5-(4-isopropoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 315 °C