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5-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol

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5-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID IEOkP89C8XK
InChI InChI=1S/C13H16ClN3OS/c1-4-17-11(15-16-13(17)19)7-18-10-5-8(2)12(14)9(3)6-10/h5-6H,4,7H2,1-3H3,(H,16,19)
InChIKey NKMALVBJLYOZCU-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 DaM01Q82Czi
Name 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-ethyl-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/c1-4-17-11(15-16-13(17)19)7-18-10-5-8(2)12(14)9(3)6-10/h5-6H,4,7H2,1-3H3,(H,16,19)
InChIKey NKMALVBJLYOZCU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6923
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/1268066; Labnumber: COL3741; UZI_ID: UZI-006925
Synonyms 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C