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2-Butyl-6-((tert-Butyldimethylsilyl)oxy)-2-((4-methoxyphenyl)ethynyl)cyclohexanone
SpectraBase Compound ID J1cnsizgEpz
InChI InChI=1S/C25H38O3Si/c1-8-9-17-25(19-16-20-12-14-21(27-5)15-13-20)18-10-11-22(23(25)26)28-29(6,7)24(2,3)4/h12-15,22H,8-11,17-18H2,1-7H3/t22-,25+/m1/s1
InChIKey YTKPJEKAYKSMQC-RDGATRHJSA-N
Mol Weight 414.7 g/mol
Molecular Formula C25H38O3Si
Exact Mass 414.259022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6EkoW9YYn8
Name 2-Butyl-6-((tert-Butyldimethylsilyl)oxy)-2-((4-methoxyphenyl)ethynyl)cyclohexanone
Alternate Name(s) (2S,6R)-2-butyl-6-((tert-butyldimethylsilyl)oxy)-2-((4-methoxyphenyl)ethynyl)cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O3Si
InChI InChI=1S/C25H38O3Si/c1-8-9-17-25(19-16-20-12-14-21(27-5)15-13-20)18-10-11-22(23(25)26)28-29(6,7)24(2,3)4/h12-15,22H,8-11,17-18H2,1-7H3/t22-,25+/m1/s1
InChIKey YTKPJEKAYKSMQC-RDGATRHJSA-N
Literature Reference DOI 10.1002/anie.201103961
Molecular Weight 414.661 g/mol
SMILES C([C@@]1(C#Cc2ccc(cc2)OC)CCC[C@](C1=O)(O[Si](C(C)(C)C)(C)C)[H])CCC
SPLASH splash10-056r-6219000000-2e86d50747b7cb7b8b13
Source of Spectrum ACI-50-SM10-S6k
Wiley ID 1780070