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4H-1,2,4-triazole-3-thiol, 4-(4-chlorophenyl)-5-pyrazinyl-

View entire compound with spectra: 1 NMR

4H-1,2,4-triazole-3-thiol, 4-(4-chlorophenyl)-5-pyrazinyl-
SpectraBase Compound ID 3LvIkmkZO29
InChI InChI=1S/C12H8ClN5S/c13-8-1-3-9(4-2-8)18-11(16-17-12(18)19)10-7-14-5-6-15-10/h1-7H,(H,17,19)
InChIKey FWPWQNZSDKXUGY-UHFFFAOYSA-N
Mol Weight 289.74 g/mol
Molecular Formula C12H8ClN5S
Exact Mass 289.018894 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LIiZHQPyX4S
Name 4H-1,2,4-triazole-3-thiol, 4-(4-chlorophenyl)-5-pyrazinyl-
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/C12H8ClN5S/c13-8-1-3-9(4-2-8)18-11(16-17-12(18)19)10-7-14-5-6-15-10/h1-7H,(H,17,19)
InChIKey FWPWQNZSDKXUGY-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_336
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: F03942; Labnumber: NNOBK-8372
Temperature 308 °C