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6-((tert-Butyldimethylsilyl)oxy)-2-((3-chlorophenyl)ethynyl)-2-methylcyclohexanol
SpectraBase Compound ID If84lQb2vHS
InChI InChI=1S/C21H31ClO2Si/c1-20(2,3)25(5,6)24-18-11-8-13-21(4,19(18)23)14-12-16-9-7-10-17(22)15-16/h7,9-10,15,18-19,23H,8,11,13H2,1-6H3/t18-,19-,21+/m1/s1
InChIKey DVXSTISVTDKVRQ-SBHAEUEKSA-N
Mol Weight 379.02 g/mol
Molecular Formula C21H31ClO2Si
Exact Mass 378.178184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Glpopp3Z662
Name 6-((tert-Butyldimethylsilyl)oxy)-2-((3-chlorophenyl)ethynyl)-2-methylcyclohexanol
Alternate Name(s) (1S,2S,6R)-6-((tert-butyldimethylsilyl)oxy)-2-((3-chlorophenyl)ethynyl)-2-methylcyclohexan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31ClO2Si
InChI InChI=1S/C21H31ClO2Si/c1-20(2,3)25(5,6)24-18-11-8-13-21(4,19(18)23)14-12-16-9-7-10-17(22)15-16/h7,9-10,15,18-19,23H,8,11,13H2,1-6H3/t18-,19-,21+/m1/s1
InChIKey DVXSTISVTDKVRQ-SBHAEUEKSA-N
Literature Reference DOI 10.1002/anie.201103961
Molecular Weight 379.015 g/mol
SMILES O[C@]1([C@](CCC[C@]1(O[Si](C)(C)C(C)(C)C)[H])(C)C#Cc1cccc(c1)Cl)[H]
SPLASH splash10-00b9-9446000000-673d63b41f3af75df3f7
Source of Spectrum ACI-50-SM5-S5d
Wiley ID 1780057