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

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4H-1,2,4-triazole-3-thiol, 5-(4-pyridinyl)-4-(3-pyridinylmethyl)-
SpectraBase Compound ID 9RtOxspikWS
InChI InChI=1S/C13H11N5S/c19-13-17-16-12(11-3-6-14-7-4-11)18(13)9-10-2-1-5-15-8-10/h1-8H,9H2,(H,17,19)
InChIKey BJLBBKRPHJGJCP-UHFFFAOYSA-N
Mol Weight 269.33 g/mol
Molecular Formula C13H11N5S
Exact Mass 269.073517 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID tMrg0WoZXX
Name 4H-1,2,4-triazole-3-thiol, 5-(4-pyridinyl)-4-(3-pyridinylmethyl)-
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/C13H11N5S/c19-13-17-16-12(11-3-6-14-7-4-11)18(13)9-10-2-1-5-15-8-10/h1-8H,9H2,(H,17,19)
InChIKey BJLBBKRPHJGJCP-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_8018
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: F31425; Labnumber: BAL5-1870