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(11E)-11-[[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-METHYLENE]-8-FLUORO-5,11-DIHYDRO-10H-DIBENZO-[A,D]-CYCLOHEPTEN-10-ONE;MAJOR-ISOMER

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(11E)-11-[[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-METHYLENE]-8-FLUORO-5,11-DIHYDRO-10H-DIBENZO-[A,D]-CYCLOHEPTEN-10-ONE;MAJOR-ISOMER
SpectraBase Compound ID LnMcPniQBfj
InChI InChI=1S/C21H19FO3/c1-21(2)24-12-16(25-21)11-19-17-6-4-3-5-13(17)9-14-7-8-15(22)10-18(14)20(19)23/h3-8,10-11,16H,9,12H2,1-2H3/b19-11+/t16-/m1/s1
InChIKey HEPXUYBWRWIIRN-YDDPGSGASA-N
Mol Weight 338.38 g/mol
Molecular Formula C21H19FO3
Exact Mass 338.131823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BDFzqJy2Nfp
Name (11E)-11-[[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-METHYLENE]-8-FLUORO-5,11-DIHYDRO-10H-DIBENZO-[A,D]-CYCLOHEPTEN-10-ONE;MAJOR-ISOMER
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19FO3
InChI InChI=1S/C21H19FO3/c1-21(2)24-12-16(25-21)11-19-17-6-4-3-5-13(17)9-14-7-8-15(22)10-18(14)20(19)23/h3-8,10-11,16H,9,12H2,1-2H3/b19-11+/t16-/m1/s1
InChIKey HEPXUYBWRWIIRN-YDDPGSGASA-N
Literature Reference Author F.COMPERNOLLE,S.TOPPET,T.BROSSETTE,H.MAO,M.KOUKNI,T.KOZLECKI ,B.MEDAER,M.GUILLAUM
Literature Reference Citation EUR.J.ORG.CHEM.,1586(2006)
Molecular Weight 338.378 g/mol
Sample ID 32044
Solvent CDCl3