For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Ethyl (1R,3R,6R)-3-((tert-butyldimethylsilyl)oxy)-6-isopropyl-3-methyl-2-oxocyclohexane-1-carboxylate
SpectraBase Compound ID 4DNyTiRrf0x
InChI InChI=1S/C19H36O4Si/c1-10-22-17(21)15-14(13(2)3)11-12-19(7,16(15)20)23-24(8,9)18(4,5)6/h13-15H,10-12H2,1-9H3/t14-,15-,19-/m1/s1
InChIKey PNKCXEHJPVUJED-SPYBWZPUSA-N
Mol Weight 356.6 g/mol
Molecular Formula C19H36O4Si
Exact Mass 356.238286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AXiDSI0miGr
Name Ethyl (1R,3R,6R)-3-((tert-butyldimethylsilyl)oxy)-6-isopropyl-3-methyl-2-oxocyclohexane-1-carboxylate
Appearance Colorless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36O4Si
InChI InChI=1S/C19H36O4Si/c1-10-22-17(21)15-14(13(2)3)11-12-19(7,16(15)20)23-24(8,9)18(4,5)6/h13-15H,10-12H2,1-9H3/t14-,15-,19-/m1/s1
InChIKey PNKCXEHJPVUJED-SPYBWZPUSA-N
Instrument Name Agilent 6890 and Finnigan MAT 95 XL
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.222
Molecular Weight 356.578 g/mol
Optical Rotation [a]D22 = -42.1 (c = 2.0, CHCl3)
Reported Formula C19H36O4Si
SMILES C1[C@@](C([C@@]([C@](C1)(C(C)C)[H])(C(OCC)=O)[H])=O)(C)O[Si](C(C)(C)C)(C)C
SPLASH splash10-00b9-6390000000-33edc8508c6c8e6c3c05
Source of Spectrum BJO-14-SM9-23
Thin-Layer Chromatography Rf = 0.31 (petroleum ether/EtOAc, 20:1)
Wiley ID 1845725