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5-[2-(4-butoxyphenyl)-4-quinolinyl]-4-methyl-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 NMR

5-[2-(4-butoxyphenyl)-4-quinolinyl]-4-methyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 2nrgtakrSWc
InChI InChI=1S/C22H22N4OS/c1-3-4-13-27-16-11-9-15(10-12-16)20-14-18(21-24-25-22(28)26(21)2)17-7-5-6-8-19(17)23-20/h5-12,14H,3-4,13H2,1-2H3,(H,25,28)
InChIKey HDIALTWRNLRPMZ-UHFFFAOYSA-N
Mol Weight 390.51 g/mol
Molecular Formula C22H22N4OS
Exact Mass 390.151433 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8R0flM27Z4U
Name 5-[2-(4-butoxyphenyl)-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/C22H22N4OS/c1-3-4-13-27-16-11-9-15(10-12-16)20-14-18(21-24-25-22(28)26(21)2)17-7-5-6-8-19(17)23-20/h5-12,14H,3-4,13H2,1-2H3,(H,25,28)
InChIKey HDIALTWRNLRPMZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6764
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/1265651; Labnumber: COL3386; UZI_ID: UZI-006766
Synonyms 5-[2-(4-butoxyphenyl)-4-quinolinyl]-4-methyl-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C