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5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID CApUMEJcnHB
InChI InChI=1S/C11H12ClN3OS/c1-7-5-8(12)3-4-9(7)16-6-10-13-14-11(17)15(10)2/h3-5H,6H2,1-2H3,(H,14,17)
InChIKey ZFIDHFSYPWDWLK-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 Tx5PMiTPLj
Name 5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl hydrosulfide
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(12)3-4-9(7)16-6-10-13-14-11(17)15(10)2/h3-5H,6H2,1-2H3,(H,14,17)
InChIKey ZFIDHFSYPWDWLK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6889
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/1265523; Labnumber: COL3655; UZI_ID: UZI-006891
Synonyms 5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
Temperature 318 °C