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3,6-Diphenylcyclohexane-1,2-diol, tms derivative

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3,6-Diphenylcyclohexane-1,2-diol, tms derivative
SpectraBase Compound ID EvieZMHI9Us
InChI InChI=1S/C21H28O2Si/c1-24(2,3)23-21-19(17-12-8-5-9-13-17)15-14-18(20(21)22)16-10-6-4-7-11-16/h4-13,18-22H,14-15H2,1-3H3
InChIKey XIKAVIITHXOESA-UHFFFAOYSA-N
Mol Weight 340.54 g/mol
Molecular Formula C21H28O2Si
Exact Mass 340.185857 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BBOAwZrWfp2
Name 3,6-Diphenylcyclohexane-1,2-diol, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 340.185856675 u
Formula C21H28O2Si
InChI InChI=1S/C21H28O2Si/c1-24(2,3)23-21-19(17-12-8-5-9-13-17)15-14-18(20(21)22)16-10-6-4-7-11-16/h4-13,18-22H,14-15H2,1-3H3
InChIKey XIKAVIITHXOESA-UHFFFAOYSA-N
Molecular Weight 340.538 g/mol
SMILES C1(C(C(CCC1C1=CC=CC=C1)C1=CC=CC=C1)O[Si](C)(C)C)O