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5-(2-pyrazinyl)-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID K5ztwROOrTH
InChI InChI=1S/C13H8F3N5S/c14-13(15,16)8-3-1-2-4-10(8)21-11(19-20-12(21)22)9-7-17-5-6-18-9/h1-7H,(H,20,22)
InChIKey OATXUJVUGQPUHK-UHFFFAOYSA-N
Mol Weight 323.3 g/mol
Molecular Formula C13H8F3N5S
Exact Mass 323.045251 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2Xl2vsBaaiD
Name 5-(2-pyrazinyl)-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
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/C13H8F3N5S/c14-13(15,16)8-3-1-2-4-10(8)21-11(19-20-12(21)22)9-7-17-5-6-18-9/h1-7H,(H,20,22)
InChIKey OATXUJVUGQPUHK-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2558
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: D03657; Labnumber: NCOBK-0370; SBI_ID: SBI-002560
Synonyms 5-(2-pyrazinyl)-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C