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4H-1,2,4-triazole-3-thiol, 4-[3-(1H-imidazol-1-yl)propyl]-5-(4-pyridinyl)-
SpectraBase Compound ID qlOx8eI1rR
InChI InChI=1S/C13H14N6S/c20-13-17-16-12(11-2-4-14-5-3-11)19(13)8-1-7-18-9-6-15-10-18/h2-6,9-10H,1,7-8H2,(H,17,20)
InChIKey GIZZBKIIOGJOPJ-UHFFFAOYSA-N
Mol Weight 286.36 g/mol
Molecular Formula C13H14N6S
Exact Mass 286.100066 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AJckeH5krA2
Name 4H-1,2,4-triazole-3-thiol, 4-[3-(1H-imidazol-1-yl)propyl]-5-(4-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/C13H14N6S/c20-13-17-16-12(11-2-4-14-5-3-11)19(13)8-1-7-18-9-6-15-10-18/h2-6,9-10H,1,7-8H2,(H,17,20)
InChIKey GIZZBKIIOGJOPJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_8016
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: F31423; Labnumber: BAL5-1863