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4H-1,2,4-triazole-3-thiol, 5-[3-(1,1-dimethylethyl)-1H-pyrazol-5-yl]-4-(3-pyridinyl)-
SpectraBase Compound ID fCxnYclWQT
InChI InChI=1S/C14H16N6S/c1-14(2,3)11-7-10(16-17-11)12-18-19-13(21)20(12)9-5-4-6-15-8-9/h4-8H,1-3H3,(H,16,17)(H,19,21)
InChIKey VXOIVHMXMVSVOA-UHFFFAOYSA-N
Mol Weight 300.38 g/mol
Molecular Formula C14H16N6S
Exact Mass 300.115716 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AU2dJd8hlX3
Name 4H-1,2,4-triazole-3-thiol, 5-[3-(1,1-dimethylethyl)-1H-pyrazol-5-yl]-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/C14H16N6S/c1-14(2,3)11-7-10(16-17-11)12-18-19-13(21)20(12)9-5-4-6-15-8-9/h4-8H,1-3H3,(H,16,17)(H,19,21)
InChIKey VXOIVHMXMVSVOA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_4869
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: F23358; Labnumber: NNOBK-9095