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Ospemifene, trimethylsilyl ether

View entire compound with spectra: 1 NMR

Ospemifene, trimethylsilyl ether
SpectraBase Compound ID 28b3YNEoGIx
InChI InChI=1S/C27H31ClO2Si/c1-31(2,3)30-21-20-29-25-16-14-24(15-17-25)27(23-12-8-5-9-13-23)26(18-19-28)22-10-6-4-7-11-22/h4-17H,18-21H2,1-3H3/b27-26-
InChIKey NRMHITZYHYVTOM-RQZHXJHFSA-N
Mol Weight 451.08 g/mol
Molecular Formula C27H31ClO2Si
Exact Mass 450.178184 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4iVyVcO9Wh2
Name Ospemifene, trimethylsilyl ether
Comments Computed using HOSE algorithm
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Exact Mass 450.178184471 u
Formula C27H31ClO2Si
InChI InChI=1S/C27H31ClO2Si/c1-31(2,3)30-21-20-29-25-16-14-24(15-17-25)27(23-12-8-5-9-13-23)26(18-19-28)22-10-6-4-7-11-22/h4-17H,18-21H2,1-3H3/b27-26-
InChIKey NRMHITZYHYVTOM-RQZHXJHFSA-N
Molecular Weight 451.081 g/mol
SMILES C(Cl)C\C(=C\(C1=CC=C(C=C1)OCCO[Si](C)(C)C)C1=CC=CC=C1)C1=CC=CC=C1