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

View entire compound with spectra: 1 NMR

4H-1,2,4-triazole-3-thiol, 5-(5-chloro-2-methoxyphenyl)-4-(3-pyridinyl)-
SpectraBase Compound ID DXYl87B0yJR
InChI InChI=1S/C14H11ClN4OS/c1-20-12-5-4-9(15)7-11(12)13-17-18-14(21)19(13)10-3-2-6-16-8-10/h2-8H,1H3,(H,18,21)
InChIKey DVIJLWYHFZSNHE-UHFFFAOYSA-N
Mol Weight 318.78 g/mol
Molecular Formula C14H11ClN4OS
Exact Mass 318.03421 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8OtyBZWDZqV
Name 4H-1,2,4-triazole-3-thiol, 5-(5-chloro-2-methoxyphenyl)-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/C14H11ClN4OS/c1-20-12-5-4-9(15)7-11(12)13-17-18-14(21)19(13)10-3-2-6-16-8-10/h2-8H,1H3,(H,18,21)
InChIKey DVIJLWYHFZSNHE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_279
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: F03878; Labnumber: NNOBK-8267
Temperature 308 °C