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4H-1,2,4-triazole-3-thiol, 5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-(5-quinolinyl)-
SpectraBase Compound ID 8SbZDBGLvIM
InChI InChI=1S/C18H16N6S2/c1-11-9-12(2)21-17(20-11)26-10-16-22-23-18(25)24(16)15-7-3-6-14-13(15)5-4-8-19-14/h3-9H,10H2,1-2H3,(H,23,25)
InChIKey JTHDSLZHIOLUKJ-UHFFFAOYSA-N
Mol Weight 380.49 g/mol
Molecular Formula C18H16N6S2
Exact Mass 380.087787 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5rlZohF8Yg6
Name 4H-1,2,4-triazole-3-thiol, 5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-(5-quinolinyl)-
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/C18H16N6S2/c1-11-9-12(2)21-17(20-11)26-10-16-22-23-18(25)24(16)15-7-3-6-14-13(15)5-4-8-19-14/h3-9H,10H2,1-2H3,(H,23,25)
InChIKey JTHDSLZHIOLUKJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_4856
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: F23339; Labnumber: NNOBK-9049