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5,8-Monoepoxyretinoic acid, tms derivative

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5,8-Monoepoxyretinoic acid, tms derivative
SpectraBase Compound ID 7HVCGoFI1eE
InChI InChI=1S/C23H36O3Si/c1-17(15-21(24)26-27(6,7)8)11-9-12-18(2)19-16-20-22(3,4)13-10-14-23(20,5)25-19/h9,11-12,15-16,19H,10,13-14H2,1-8H3/b11-9+,17-15+,18-12+
InChIKey ROUDNYCUWOVPCC-VEJUMSJASA-N
Mol Weight 388.6 g/mol
Molecular Formula C23H36O3Si
Exact Mass 388.243372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CLNhkm4tX96
Name 5,8-Monoepoxyretinoic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 388.243371551 u
Formula C23H36O3Si
InChI InChI=1S/C23H36O3Si/c1-17(15-21(24)26-27(6,7)8)11-9-12-18(2)19-16-20-22(3,4)13-10-14-23(20,5)25-19/h9,11-12,15-16,19H,10,13-14H2,1-8H3/b11-9+,17-15+,18-12+
InChIKey ROUDNYCUWOVPCC-VEJUMSJASA-N
Molecular Weight 388.623 g/mol
SMILES CC12C(=CC(O2)\C(=C\C=C\C(=C\C(O[Si](C)(C)C)=O)C)C)C(C)(C)CCC1