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1-[(Methylsulfinyl)(phenyl)methyl]-4-phenyl-1H-1,2,3-triazole
SpectraBase Compound ID BrQxsmOCIZN
InChI InChI=1S/C17H17N3OS/c1-22(21)13-17(15-10-6-3-7-11-15)20-12-16(18-19-20)14-8-4-2-5-9-14/h2-12,17H,13H2,1H3
InChIKey SHIJGSHCLJATHY-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C17H17N3OS
Exact Mass 311.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AA5jNyLaWtz
Name 1-[(Methylsulfinyl)(phenyl)methyl]-4-phenyl-1H-1,2,3-triazole
Alternate Name(s) 1-(2-(methylsulfinyl)-1-phenylethyl)-4-phenyl-1H-1,2,3-triazole 1-(2-Methylsulfinyl-1-phenylethyl)-4-phenyltriazole 1-(2-Methylsulfinyl-1-phenyl-ethyl)-4-phenyl-1,2,3-triazole
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Formula C17H17N3OS
InChI InChI=1S/C17H17N3OS/c1-22(21)13-17(15-10-6-3-7-11-15)20-12-16(18-19-20)14-8-4-2-5-9-14/h2-12,17H,13H2,1H3
InChIKey SHIJGSHCLJATHY-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo400110m
Molecular Weight 311.403 g/mol
SMILES C([n]1nnc(c1)-c1ccccc1)(C[S+]([O-])C)c1ccccc1
SPLASH splash10-0uxr-1920000000-56a9ac468a0ba928e5f0
Source of Spectrum J-78-5036-4ga
Wiley ID 1745448