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5-(4-Chloro-3-methyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-(4-Chloro-3-methyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol
SpectraBase Compound ID 9wuQK3HzsSP
InChI InChI=1S/C11H12ClN3OS/c1-7-5-8(3-4-9(7)12)16-6-10-13-14-11(17)15(10)2/h3-5H,6H2,1-2H3,(H,14,17)
InChIKey XOSWEMQNUIVMSL-UHFFFAOYSA-N
Mol Weight 269.75 g/mol
Molecular Formula C11H12ClN3OS
Exact Mass 269.038961 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6FHR6Z0zZzM
Name 4H-1,2,4-triazole-3-thiol, 5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-
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/C11H12ClN3OS/c1-7-5-8(3-4-9(7)12)16-6-10-13-14-11(17)15(10)2/h3-5H,6H2,1-2H3,(H,14,17)
InChIKey XOSWEMQNUIVMSL-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3731
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: NMR/17231753; Labnumber: c_bloc-378