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(1R,3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-5-hydroxy-1-cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID Ba1gmZOXZuw
InChI InChI=1S/C26H36O4Si/c1-6-22-23(27)17-19(25(28)29-5)18-24(22)30-31(26(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-24,27H,6,17-18H2,1-5H3/t19-,22+,23-,24-/m1/s1
InChIKey PIQLTTPJNRLKFH-OYYPCOLYSA-N
Mol Weight 440.7 g/mol
Molecular Formula C26H36O4Si
Exact Mass 440.238286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9rNHpvkjLZm
Name (1R,3R,4S,5R)-3-[Tert-butyl(diphenyl)silyl]oxy-4-ethyl-5-hydroxy-1-cyclohexanecarboxylic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.238286170 u
Formula C26H36O4Si
InChI InChI=1S/C26H36O4Si/c1-6-22-23(27)17-19(25(28)29-5)18-24(22)30-31(26(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-24,27H,6,17-18H2,1-5H3/t19-,22+,23-,24-/m1/s1
InChIKey PIQLTTPJNRLKFH-OYYPCOLYSA-N
Molecular Weight 440.655 g/mol
SMILES [C@@]1(O[Si](C(C)(C)C)(C=2C=CC=CC2)C2=CC=CC=C2)([C@]([C@](O)(C[C@](C1)(C(=O)OC)[H])[H])(CC)[H])[H]