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4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 3 NMR, and 1 MS (GC)

4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 22GmMMM63AB
InChI InChI=1S/C13H10N4S/c18-13-16-15-12(10-6-8-14-9-7-10)17(13)11-4-2-1-3-5-11/h1-9H,(H,16,18)
InChIKey KPJBNFINSPXEGF-UHFFFAOYSA-N
Mol Weight 254.31 g/mol
Molecular Formula C13H10N4S
Exact Mass 254.062618 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 75Vankh64Yk
Name 4-phenyl-5-(4-pyridinyl)-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/C13H10N4S/c18-13-16-15-12(10-6-8-14-9-7-10)17(13)11-4-2-1-3-5-11/h1-9H,(H,16,18)
InChIKey KPJBNFINSPXEGF-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10300
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: D68998; Labnumber: NNOBK-5549; SBI_ID: SBI-010303
Synonyms 4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 306 °C