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5-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 6434jBjgJgq
InChI InChI=1S/C12H14ClN3OS/c1-7-4-9(5-8(2)11(7)13)17-6-10-14-15-12(18)16(10)3/h4-5H,6H2,1-3H3,(H,15,18)
InChIKey XFFALXBKATXVSL-UHFFFAOYSA-N
Mol Weight 283.78 g/mol
Molecular Formula C12H14ClN3OS
Exact Mass 283.054611 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1ky98SIChPY
Name 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-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/C12H14ClN3OS/c1-7-4-9(5-8(2)11(7)13)17-6-10-14-15-12(18)16(10)3/h4-5H,6H2,1-3H3,(H,15,18)
InChIKey XFFALXBKATXVSL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6980
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/1267538; Labnumber: COL3881; UZI_ID: UZI-006982
Synonyms 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C