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-(1,1-dimethylethyl)-1H-pyrazol-5-yl]-4-(5-quinolinyl)-
SpectraBase Compound ID 1QLjoyGrTA3
InChI InChI=1S/C18H18N6S/c1-18(2,3)15-10-13(20-21-15)16-22-23-17(25)24(16)14-8-4-7-12-11(14)6-5-9-19-12/h4-10H,1-3H3,(H,20,21)(H,23,25)
InChIKey HJHFIFFUMLWCSP-UHFFFAOYSA-N
Mol Weight 350.44 g/mol
Molecular Formula C18H18N6S
Exact Mass 350.131366 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 3wVDbCpDLxK
Name 4H-1,2,4-triazole-3-thiol, 5-[3-(1,1-dimethylethyl)-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/C18H18N6S/c1-18(2,3)15-10-13(20-21-15)16-22-23-17(25)24(16)14-8-4-7-12-11(14)6-5-9-19-12/h4-10H,1-3H3,(H,20,21)(H,23,25)
InChIKey HJHFIFFUMLWCSP-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_3215
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: F17351; Labnumber: NNOBK-9037