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3-[(4-methoxybenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole
SpectraBase Compound ID CEukT7DRH5G
InChI InChI=1S/C11H13N3OS/c1-14-8-12-13-11(14)16-7-9-3-5-10(15-2)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey YALHKVASCWFATJ-UHFFFAOYSA-N
Mol Weight 235.3 g/mol
Molecular Formula C11H13N3OS
Exact Mass 235.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LnHuUBoW6gq
Name 3-[(4-methoxybenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole
Alternate Name(s) 3-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole 3-[(4-methoxyphenyl)methylthio]-4-methyl-1,2,4-triazole 4-Methyl-3-(p-anisylthio)-1,2,4-triazole 4H-[1,2,4]Triazole, 3-(4-methoxybenzylsulfanyl)-4-methyl-
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Formula C11H13N3OS
InChI InChI=1S/C11H13N3OS/c1-14-8-12-13-11(14)16-7-9-3-5-10(15-2)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey YALHKVASCWFATJ-UHFFFAOYSA-N
Molecular Weight 235.305 g/mol
SMILES COc1ccc(CSc2[n](cnn2)C)cc1
SPLASH splash10-00di-9810000000-711390ba4fc2fd1aaad3
Wiley ID 1441130