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5-[1-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID KISKDJ64INH
InChI InChI=1S/C13H16ClN3OS/c1-7-5-10(6-8(2)11(7)14)18-9(3)12-15-16-13(19)17(12)4/h5-6,9H,1-4H3,(H,16,19)
InChIKey WPDKZGFYSUMDLJ-UHFFFAOYSA-N
Mol Weight 297.8 g/mol
Molecular Formula C13H16ClN3OS
Exact Mass 297.070261 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1PKMzqCo4Bg
Name 5-[1-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol
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/C13H16ClN3OS/c1-7-5-10(6-8(2)11(7)14)18-9(3)12-15-16-13(19)17(12)4/h5-6,9H,1-4H3,(H,16,19)
InChIKey WPDKZGFYSUMDLJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6982
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: UZI/1266507; Labnumber: COL3883; UZI_ID: UZI-006984
Synonyms 5-[1-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C