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(11R)-11-[[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-METHYL]-8-FLUORO-5,11-DIHYDRO-10H-DIBENZO-[A,D]-CYCLOHEPTEN-10-ONE
SpectraBase Compound ID 3YCoHLJgP56
InChI InChI=1S/C21H21FO3/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/h3-8,10,16,19H,9,11-12H2,1-2H3/t16-,19-/m1/s1
InChIKey GZVDCEFZGMFEFK-VQIMIIECSA-N
Mol Weight 340.39 g/mol
Molecular Formula C21H21FO3
Exact Mass 340.147473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JnVzLgXn08p
Name (11R)-11-[[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-METHYL]-8-FLUORO-5,11-DIHYDRO-10H-DIBENZO-[A,D]-CYCLOHEPTEN-10-ONE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21FO3
InChI InChI=1S/C21H21FO3/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/h3-8,10,16,19H,9,11-12H2,1-2H3/t16-,19-/m1/s1
InChIKey GZVDCEFZGMFEFK-VQIMIIECSA-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 340.394 g/mol
Sample ID 32046
Solvent CDCl3