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

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4H-1,2,4-triazole-3-thiol, 5-phenyl-4-(3-pyridinyl)-
SpectraBase Compound ID BdsVpye5LqI
InChI InChI=1S/C13H10N4S/c18-13-16-15-12(10-5-2-1-3-6-10)17(13)11-7-4-8-14-9-11/h1-9H,(H,16,18)
InChIKey MGPWDLOEGUWTBB-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 8KbFBsSkSA0
Name 4H-1,2,4-triazole-3-thiol, 5-phenyl-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/C13H10N4S/c18-13-16-15-12(10-5-2-1-3-6-10)17(13)11-7-4-8-14-9-11/h1-9H,(H,16,18)
InChIKey MGPWDLOEGUWTBB-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_4858
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: F23342; Labnumber: NNOBK-9070