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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jA2ceIOAGd
Name 5-(4-Chloro-3-methyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12ClN3OS
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
Molecular Weight 269.750 g/mol
SMILES Sc1[n](c(nn1)COc1cc(C)c(cc1)Cl)C
SPLASH splash10-002f-9810000000-72164a8d6785b658ed19
Synonyms 3-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione 3-[(4-chloro-3-methyl-phenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione 5-[(4-Chloro-3-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl hydrosulfide
Wiley ID 1462070