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Diethyl 4-hydroxy-4-methyl-6-oxo-2-phenyl-1,3-cyclohexanedicarboxylate tbdms
SpectraBase Compound ID L8JWmdHb4Z0
InChI InChI=1S/C25H38O6Si/c1-9-29-22(27)20-18(26)16-25(6,31-32(7,8)24(3,4)5)21(23(28)30-10-2)19(20)17-14-12-11-13-15-17/h11-15,19-21H,9-10,16H2,1-8H3
InChIKey WQHVUJYXFTTWHX-UHFFFAOYSA-N
Mol Weight 462.7 g/mol
Molecular Formula C25H38O6Si
Exact Mass 462.243765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JdUVXhXM0Dz
Name Diethyl 4-hydroxy-4-methyl-6-oxo-2-phenyl-1,3-cyclohexanedicarboxylate tbdms
Comments Computed using HOSE algorithm
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Exact Mass 462.243765473 u
Formula C25H38O6Si
InChI InChI=1S/C25H38O6Si/c1-9-29-22(27)20-18(26)16-25(6,31-32(7,8)24(3,4)5)21(23(28)30-10-2)19(20)17-14-12-11-13-15-17/h11-15,19-21H,9-10,16H2,1-8H3
InChIKey WQHVUJYXFTTWHX-UHFFFAOYSA-N
Molecular Weight 462.658 g/mol
SMILES CC(C)(C)[Si](C)(C)OC1(C(C(OCC)=O)C(C2=CC=CC=C2)C(C(C1)=O)C(OCC)=O)C