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4-Methyl-5-[4-(1-methyl-1-phenyl-ethyl)-phenoxymethyl]-4H-[1,2,4]triazole-3-thiol
SpectraBase Compound ID 5qc9rxNpzid
InChI InChI=1S/C19H21N3OS/c1-19(2,14-7-5-4-6-8-14)15-9-11-16(12-10-15)23-13-17-20-21-18(24)22(17)3/h4-12H,13H2,1-3H3,(H,21,24)
InChIKey XEIGFIMQPPZVPE-UHFFFAOYSA-N
Mol Weight 339.46 g/mol
Molecular Formula C19H21N3OS
Exact Mass 339.140533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UQCImNmKtX
Name 4-Methyl-5-[4-(1-methyl-1-phenyl-ethyl)-phenoxymethyl]-4H-[1,2,4]triazole-3-thiol
Alternate Name(s) 3-[(4-cumylphenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione 4-Methyl-3-[[4-(1-methyl-1-phenyl-ethyl)phenoxy]methyl]-1H-1,2,4-triazole-5-thione 4-Methyl-3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-1H-1,2,4-triazole-5-thione
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Formula C19H21N3OS
InChI InChI=1S/C19H21N3OS/c1-19(2,14-7-5-4-6-8-14)15-9-11-16(12-10-15)23-13-17-20-21-18(24)22(17)3/h4-12H,13H2,1-3H3,(H,21,24)
InChIKey XEIGFIMQPPZVPE-UHFFFAOYSA-N
Molecular Weight 339.457 g/mol
SMILES Sc1[n](c(nn1)COc1ccc(C(c2ccccc2)(C)C)cc1)C
SPLASH splash10-0002-5910000000-448eaf759493ce32b429
Wiley ID 1462103