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2-Oxabicyclo[4.2.0]oct-4-en-3-one, rel-(1R,6S,7S,8S)-5-methoxy-8-(4-methoxy-2-oxo-2H-pyran-6-yl)-7-(4-fluorophenyl)-1-[(E)-2-(4-fluorophenyl)ethenyl]-

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

2-Oxabicyclo[4.2.0]oct-4-en-3-one, rel-(1R,6S,7S,8S)-5-methoxy-8-(4-methoxy-2-oxo-2H-pyran-6-yl)-7-(4-fluorophenyl)-1-[(E)-2-(4-fluorophenyl)ethenyl]-
SpectraBase Compound ID FTUcWPdLpsg
InChI InChI=1S/C28H22F2O6/c1-33-20-13-22(35-23(31)14-20)27-25(17-5-9-19(30)10-6-17)26-21(34-2)15-24(32)36-28(26,27)12-11-16-3-7-18(29)8-4-16/h3-15,25-27H,1-2H3/b12-11+
InChIKey GFGBBHJPYHZOSB-VAWYXSNFSA-N
Mol Weight 492.47 g/mol
Molecular Formula C28H22F2O6
Exact Mass 492.138445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HiNp6nSyVkE
Name 2-Oxabicyclo[4.2.0]oct-4-en-3-one, rel-(1R,6S,7S,8S)-5-methoxy-8-(4-methoxy-2-oxo-2H-pyran-6-yl)-7-(4-fluorophenyl)-1-[(E)-2-(4-fluorophenyl)ethenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.138444748 u
Formula C28H22F2O6
InChI InChI=1S/C28H22F2O6/c1-33-20-13-22(35-23(31)14-20)27-25(17-5-9-19(30)10-6-17)26-21(34-2)15-24(32)36-28(26,27)12-11-16-3-7-18(29)8-4-16/h3-15,25-27H,1-2H3/b12-11+
InChIKey GFGBBHJPYHZOSB-VAWYXSNFSA-N
Molecular Weight 492.475 g/mol
SMILES C1(F)=CC=C(C=C1)\C=C\C12OC(=O)C=C(C2C(C1C1=CC(OC)=CC(O1)=O)C1=CC=C(C=C1)F)OC