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Diethyl 4-hydroxy-4-methyl-6-oxo-2-phenyl-1,3-cyclohexanedicarboxylate tms
SpectraBase Compound ID 7Nt15Z8BAMr
InChI InChI=1S/C22H32O6Si/c1-7-26-20(24)18-16(23)14-22(3,28-29(4,5)6)19(21(25)27-8-2)17(18)15-12-10-9-11-13-15/h9-13,17-19H,7-8,14H2,1-6H3
InChIKey YWOJMDYOLHZJEG-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C22H32O6Si
Exact Mass 420.196815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DFN4IWWJA7y
Name Diethyl 4-hydroxy-4-methyl-6-oxo-2-phenyl-1,3-cyclohexanedicarboxylate tms
Comments Computed using HOSE algorithm
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Exact Mass 420.196815279 u
Formula C22H32O6Si
InChI InChI=1S/C22H32O6Si/c1-7-26-20(24)18-16(23)14-22(3,28-29(4,5)6)19(21(25)27-8-2)17(18)15-12-10-9-11-13-15/h9-13,17-19H,7-8,14H2,1-6H3
InChIKey YWOJMDYOLHZJEG-UHFFFAOYSA-N
Molecular Weight 420.577 g/mol
SMILES C[Si](C)(C)OC1(C(C(OCC)=O)C(C2=CC=CC=C2)C(C(C1)=O)C(OCC)=O)C