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4H-1,2,4-triazole-3-thiol, 5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(3-pyridinyl)-
SpectraBase Compound ID H7gs0EJn3dU
InChI InChI=1S/C16H11ClN6S/c17-11-5-3-10(4-6-11)13-8-14(20-19-13)15-21-22-16(24)23(15)12-2-1-7-18-9-12/h1-9H,(H,19,20)(H,22,24)
InChIKey LJLKVBHKNCDUQF-UHFFFAOYSA-N
Mol Weight 354.82 g/mol
Molecular Formula C16H11ClN6S
Exact Mass 354.045443 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ddY1Qg0IVc
Name 4H-1,2,4-triazole-3-thiol, 5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(3-pyridinyl)-
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/C16H11ClN6S/c17-11-5-3-10(4-6-11)13-8-14(20-19-13)15-21-22-16(24)23(15)12-2-1-7-18-9-12/h1-9H,(H,19,20)(H,22,24)
InChIKey LJLKVBHKNCDUQF-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6013
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: F26733; Labnumber: NNOBK-9098