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Ospemifene, trifluoroacetate

View entire compound with spectra: 1 NMR

Ospemifene, trifluoroacetate
SpectraBase Compound ID Cglpln4gtnj
InChI InChI=1S/C26H22ClF3O3/c27-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)32-17-18-33-25(31)26(28,29)30/h1-14H,15-18H2/b24-23-
InChIKey USKVDRUUKWSYCF-VHXPQNKSSA-N
Mol Weight 474.91 g/mol
Molecular Formula C26H22ClF3O3
Exact Mass 474.120957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8oNOPTCrp1g
Name Ospemifene, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 474.120956754 u
Formula C26H22ClF3O3
InChI InChI=1S/C26H22ClF3O3/c27-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)32-17-18-33-25(31)26(28,29)30/h1-14H,15-18H2/b24-23-
InChIKey USKVDRUUKWSYCF-VHXPQNKSSA-N
Molecular Weight 474.907 g/mol
SMILES C(Cl)C\C(=C\(C1=CC=C(C=C1)OCCOC(C(F)(F)F)=O)C1=CC=CC=C1)C1=CC=CC=C1