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1,3-Dioxan-4-one, 2-(1,1-dimethylethyl)-5-[(dimethylphenylsilyl)phenylmethyl]-6-methyl-, [2R-[2.alpha.,5.beta.(S*),6.alpha.]]-

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1,3-Dioxan-4-one, 2-(1,1-dimethylethyl)-5-[(dimethylphenylsilyl)phenylmethyl]-6-methyl-, [2R-[2.alpha.,5.beta.(S*),6.alpha.]]-
SpectraBase Compound ID JRVOdqXDnv9
InChI InChI=1S/C15H18Si.C9H16O3/c1-16(2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;1-6-5-7(10)12-8(11-6)9(2,3)4/h3-12H,13H2,1-2H3;6,8H,5H2,1-4H3
InChIKey MBJDMLJBFKYCLB-UHFFFAOYSA-N
Mol Weight 398.62 g/mol
Molecular Formula C24H34O3Si
Exact Mass 398.227721 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5u2xarR4RC2
Name 1,3-Dioxan-4-one, 2-(1,1-dimethylethyl)-5-[(dimethylphenylsilyl)phenylmethyl]-6-methyl-, [2R-[2alpha,5beta(S*),6alpha]]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.227721487 u
Formula C24H34O3Si
InChI InChI=1S/C15H18Si.C9H16O3/c1-16(2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;1-6-5-7(10)12-8(11-6)9(2,3)4/h3-12H,13H2,1-2H3;6,8H,5H2,1-4H3
InChIKey MBJDMLJBFKYCLB-UHFFFAOYSA-N
Molecular Weight 398.618 g/mol
Nominal Mass 398 u
SMILES C(c1ccccc1)[Si](C)(C)c1ccccc1.CC(C)(C1OC(=O)CC(C)O1)C