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1-[2-(Methylthio)octyl]-4-phenyl-1H-1,2,3-triazole
SpectraBase Compound ID Ln2mOEFOvVA
InChI InChI=1S/C17H25N3S/c1-3-4-5-9-12-16(21-2)13-20-14-17(18-19-20)15-10-7-6-8-11-15/h6-8,10-11,14,16H,3-5,9,12-13H2,1-2H3
InChIKey OIZYUBKUWRVVPG-UHFFFAOYSA-N
Mol Weight 303.47 g/mol
Molecular Formula C17H25N3S
Exact Mass 303.176919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WwK3WWrEXj
Name 1-[2-(Methylthio)octyl]-4-phenyl-1H-1,2,3-triazole
Alternate Name(s) 1-(2-(methylthio)octyl)-4-phenyl-1H-1,2,3-triazole 1-[2-(methylthio)octyl]-4-phenyltriazole 1-(2-Methylsulfanyloctyl)-4-phenyltriazole 1-(2-Methylsulfanyloctyl)-4-phenyl-triazole 1-(2-Methylsulfanyloctyl)-4-phenyl-1,2,3-triazole
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Formula C17H25N3S
InChI InChI=1S/C17H25N3S/c1-3-4-5-9-12-16(21-2)13-20-14-17(18-19-20)15-10-7-6-8-11-15/h6-8,10-11,14,16H,3-5,9,12-13H2,1-2H3
InChIKey OIZYUBKUWRVVPG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo400110m
Molecular Weight 303.468 g/mol
SMILES C(CCCCC(C[n]1cc(nn1)-c1ccccc1)SC)C
SPLASH splash10-0rk9-8900000000-6ffc432a46137dcbfcc5
Source of Spectrum J-78-5035-3ea
Wiley ID 1745443