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4H-1,2,4-triazole-4-ethanol, 3-[[(2-chlorophenyl)methyl]thio]-5-(3-pyridinyl)-
SpectraBase Compound ID 2jgqVs8cEh9
InChI InChI=1S/C16H15ClN4OS/c17-14-6-2-1-4-13(14)11-23-16-20-19-15(21(16)8-9-22)12-5-3-7-18-10-12/h1-7,10,22H,8-9,11H2
InChIKey XJLYTZQFDQSSSY-UHFFFAOYSA-N
Mol Weight 346.84 g/mol
Molecular Formula C16H15ClN4OS
Exact Mass 346.06551 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 71TgAibTHq8
Name 4H-1,2,4-triazole-4-ethanol, 3-[[(2-chlorophenyl)methyl]thio]-5-(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/C16H15ClN4OS/c17-14-6-2-1-4-13(14)11-23-16-20-19-15(21(16)8-9-22)12-5-3-7-18-10-12/h1-7,10,22H,8-9,11H2
InChIKey XJLYTZQFDQSSSY-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10036
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: F36604; Labnumber: BAL5-1892