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5,6-Epoxyretinoic acid, (all E)-, tms derivative

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5,6-Epoxyretinoic acid, (all E)-, tms derivative
SpectraBase Compound ID s0safZDRDo
InChI InChI=1S/C23H36O3Si/c1-18(11-9-12-19(2)17-20(24)25-27(6,7)8)13-16-23-21(3,4)14-10-15-22(23,5)26-23/h9,11-13,16-17H,10,14-15H2,1-8H3/b12-9+,16-13+,18-11+,19-17+
InChIKey BISXXWXVZWSUKY-JPILVAKPSA-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 7qxbhdIK0L1
Name 5,6-Epoxyretinoic acid, (all E)-, tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.243371551 u
Formula C23H36O3Si
InChI InChI=1S/C23H36O3Si/c1-18(11-9-12-19(2)17-20(24)25-27(6,7)8)13-16-23-21(3,4)14-10-15-22(23,5)26-23/h9,11-13,16-17H,10,14-15H2,1-8H3/b12-9+,16-13+,18-11+,19-17+
InChIKey BISXXWXVZWSUKY-JPILVAKPSA-N
Molecular Weight 388.623 g/mol
SMILES C12(\C=C\C(=C\C=C\C(=C\C(O[Si](C)(C)C)=O)C)C)C(C)(CCCC2(C)C)O1