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Margaric acid, dimethyl(pentafluorophenyl)silyl ester

View entire compound with spectra: 1 NMR

Margaric acid, dimethyl(pentafluorophenyl)silyl ester
SpectraBase Compound ID I4FwYXTQ6jI
InChI InChI=1S/C25H39F5O2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(31)32-33(2,3)25-23(29)21(27)20(26)22(28)24(25)30/h4-18H2,1-3H3
InChIKey FGPPYVRAFOGDLK-UHFFFAOYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C25H39F5O2Si
Exact Mass 494.263948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7saJjGyPLL
Name Margaric acid, dimethyl(pentafluorophenyl)silyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.263947844 u
Formula C25H39F5O2Si
InChI InChI=1S/C25H39F5O2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(31)32-33(2,3)25-23(29)21(27)20(26)22(28)24(25)30/h4-18H2,1-3H3
InChIKey FGPPYVRAFOGDLK-UHFFFAOYSA-N
Molecular Weight 494.662 g/mol
SMILES CCCCCCCCCCCCCCCCC(O[Si](C)(C)C=1C(=C(C(=C(C1F)F)F)F)F)=O