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4-(2-methylphenyl)-5-(2-quinolinyl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 3 NMR, and 1 MS (GC)

4-(2-methylphenyl)-5-(2-quinolinyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 8tTBS88WATO
InChI InChI=1S/C18H14N4S/c1-12-6-2-5-9-16(12)22-17(20-21-18(22)23)15-11-10-13-7-3-4-8-14(13)19-15/h2-11H,1H3,(H,21,23)
InChIKey MOXHKAYPCUIFIO-UHFFFAOYSA-N
Mol Weight 318.4 g/mol
Molecular Formula C18H14N4S
Exact Mass 318.093918 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CytcoZ9NvCV
Name 4-(2-methylphenyl)-5-(2-quinolinyl)-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/C18H14N4S/c1-12-6-2-5-9-16(12)22-17(20-21-18(22)23)15-11-10-13-7-3-4-8-14(13)19-15/h2-11H,1H3,(H,21,23)
InChIKey MOXHKAYPCUIFIO-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3254
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: D09795; Labnumber: NNOBK-3660; SBI_ID: SBI-003256
Synonyms 4-(2-methylphenyl)-5-(2-quinolinyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 315 °C