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1-[(1R*,2R*)-2-Methyl-2-(methylthio)cyclohexyl]-4-phenyl-1H-1,2,3-triazole
SpectraBase Compound ID CJJF4iefVEx
InChI InChI=1S/C16H21N3S/c1-16(20-2)11-7-6-10-15(16)19-12-14(17-18-19)13-8-4-3-5-9-13/h3-5,8-9,12,15H,6-7,10-11H2,1-2H3/t15-,16-/m1/s1
InChIKey DEHJNWMRAGAPJI-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 Ly47nGmnsbq
Name 1-[(1R*,2R*)-2-Methyl-2-(methylthio)cyclohexyl]-4-phenyl-1H-1,2,3-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21N3S
InChI InChI=1S/C16H21N3S/c1-16(20-2)11-7-6-10-15(16)19-12-14(17-18-19)13-8-4-3-5-9-13/h3-5,8-9,12,15H,6-7,10-11H2,1-2H3/t15-,16-/m1/s1
InChIKey DEHJNWMRAGAPJI-HZPDHXFCSA-N
Literature Reference DOI 10.1021/jo400110m
Molecular Weight 287.425 g/mol
SMILES C1CC[C@]([C@@](C1)(SC)C)([n]1cc(nn1)-c1ccccc1)[H]
SPLASH splash10-00ke-9640000000-8d29065d3760ac1c8b3e
Source of Spectrum J-78-5036-3fa
Synonyms 1-((1R,2R)-2-methyl-2-(methylthio)cyclohexyl)-4-phenyl-1H-1,2,3-triazole 1-[(1R,2R)-2-methyl-2-(methylthio)cyclohexyl]-4-phenyltriazole 1-[(1R,2R)-2-methyl-2-methylsulfanylcyclohexyl]-4-phenyltriazole 1-[(1R,2R)-2-methyl-2-methylsulfanyl-cyclohexyl]-4-phenyl-triazole 1-[(1R,2R)-2-methyl-2-methylsulfanyl-cyclohexyl]-4-phenyl-1,2,3-triazole
Wiley ID 1745445