For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4H-1,2,4-triazole-3-thiol, 5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(5-quinolinyl)-
SpectraBase Compound ID HuTasEDi5Jt
InChI InChI=1S/C20H13ClN6S/c21-13-8-6-12(7-9-13)16-11-17(24-23-16)19-25-26-20(28)27(19)18-5-1-4-15-14(18)3-2-10-22-15/h1-11H,(H,23,24)(H,26,28)
InChIKey KEOXFBAZHSKDBX-UHFFFAOYSA-N
Mol Weight 404.88 g/mol
Molecular Formula C20H13ClN6S
Exact Mass 404.061093 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BEWTEd9Doee
Name 4H-1,2,4-triazole-3-thiol, 5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-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/C20H13ClN6S/c21-13-8-6-12(7-9-13)16-11-17(24-23-16)19-25-26-20(28)27(19)18-5-1-4-15-14(18)3-2-10-22-15/h1-11H,(H,23,24)(H,26,28)
InChIKey KEOXFBAZHSKDBX-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_3218
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: F17354; Labnumber: NNOBK-9040