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(3S,4S)-3-[dimethyl(phenyl)silyl]-4-methyl-5-phenylmethoxypentanoic acid 2-trimethylsilylethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(3S,4S)-3-[dimethyl(phenyl)silyl]-4-methyl-5-phenylmethoxypentanoic acid 2-trimethylsilylethyl ester
SpectraBase Compound ID LIUBBYTTFY7
InChI InChI=1S/C26H40O3Si2/c1-22(20-28-21-23-13-9-7-10-14-23)25(19-26(27)29-17-18-30(2,3)4)31(5,6)24-15-11-8-12-16-24/h7-16,22,25H,17-21H2,1-6H3/t22-,25-/m0/s1
InChIKey BPFGIAYKFUHJFC-DHLKQENFSA-N
Mol Weight 456.8 g/mol
Molecular Formula C26H40O3Si2
Exact Mass 456.251598 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CHNOvq6jIeb
Name (3S,4S)-3-[Dimethyl(phenyl)silyl]-4-methyl-5-phenylmethoxypentanoic acid 2-trimethylsilylethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.251598215 u
Formula C26H40O3Si2
InChI InChI=1S/C26H40O3Si2/c1-22(20-28-21-23-13-9-7-10-14-23)25(19-26(27)29-17-18-30(2,3)4)31(5,6)24-15-11-8-12-16-24/h7-16,22,25H,17-21H2,1-6H3/t22-,25-/m0/s1
InChIKey BPFGIAYKFUHJFC-DHLKQENFSA-N
Molecular Weight 456.773 g/mol
SMILES [C@@]([Si](C=1C=CC=CC1)(C)C)(CC(=O)OCC[Si](C)(C)C)([C@](COCC1=CC=CC=C1)(C)[H])[H]