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5-[2-(3-isopropoxyphenyl)-4-quinolinyl]-4-methyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 9d48CpEqzpq
InChI InChI=1S/C21H20N4OS/c1-13(2)26-15-8-6-7-14(11-15)19-12-17(20-23-24-21(27)25(20)3)16-9-4-5-10-18(16)22-19/h4-13H,1-3H3,(H,24,27)
InChIKey RDTNSZAECKJLMP-UHFFFAOYSA-N
Mol Weight 376.48 g/mol
Molecular Formula C21H20N4OS
Exact Mass 376.135782 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GcWVctS4rBx
Name 5-[2-(3-isopropoxyphenyl)-4-quinolinyl]-4-methyl-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/C21H20N4OS/c1-13(2)26-15-8-6-7-14(11-15)19-12-17(20-23-24-21(27)25(20)3)16-9-4-5-10-18(16)22-19/h4-13H,1-3H3,(H,24,27)
InChIKey RDTNSZAECKJLMP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6852
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: UZI/1265672; Labnumber: COL3600; UZI_ID: UZI-006854
Synonyms 5-[2-(3-isopropoxyphenyl)-4-quinolinyl]-4-methyl-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C