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1-[(1R*,2R*)-[2-(Methylthio)cyclohexyl]]-4-(p-tolyl)-1H-1,2,3-triazole
SpectraBase Compound ID 6sZ0TDIyzQP
InChI InChI=1S/C16H21N3S/c1-12-7-9-13(10-8-12)14-11-19(18-17-14)15-5-3-4-6-16(15)20-2/h7-11,15-16H,3-6H2,1-2H3/t15-,16-/m1/s1
InChIKey XFVDITWNIVGPGD-HZPDHXFCSA-N
Mol Weight 287.43 g/mol
Molecular Formula C16H21N3S
Exact Mass 287.145619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dv8US67G7
Name 1-[(1R*,2R*)-[2-(Methylthio)cyclohexyl]]-4-(p-tolyl)-1H-1,2,3-triazole
Alternate Name(s) 1-((1R,2R)-2-(methylthio)cyclohexyl)-4-(p-tolyl)-1H-1,2,3-triazole 4-(4-Methylphenyl)-1-[(1R,2R)-2-(methylthio)cyclohexyl]triazole 4-(4-Methylphenyl)-1-[(1R,2R)-2-methylsulfanylcyclohexyl]triazole 1-[(1R,2R)-2-methylsulfanylcyclohexyl]-4-(p-tolyl)triazole 4-(4-Methylphenyl)-1-[(1R,2R)-2-methylsulfanylcyclohexyl]-1,2,3-triazole
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Formula C16H21N3S
InChI InChI=1S/C16H21N3S/c1-12-7-9-13(10-8-12)14-11-19(18-17-14)15-5-3-4-6-16(15)20-2/h7-11,15-16H,3-6H2,1-2H3/t15-,16-/m1/s1
InChIKey XFVDITWNIVGPGD-HZPDHXFCSA-N
Literature Reference DOI 10.1021/jo400110m
Molecular Weight 287.425 g/mol
SMILES C1CC[C@]([C@@](C1)(SC)[H])([n]1cc(nn1)-c1ccc(cc1)C)[H]
SPLASH splash10-003r-9720000000-71f61b4b0373d31998e3
Source of Spectrum J-78-5035-3ab
Wiley ID 1745436