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4-(ETA(1)-ACYL)-3-BIS-(CYCLOPENTADIENYL)-2-OXA-8-PHENYL-3-TITANABICYCLO-[4.3.0]-NONANE;MAJOR-ISOMER
SpectraBase Compound ID 2dSHr5BXcoE
InChI InChI=1S/C13H14O2.2C5H.Ti/c14-7-6-11-8-12(9-13(11)15)10-4-2-1-3-5-10;2*1-2-4-5-3-1;/h1-5,11-13H,6,8-9H2;2*1H;/q-1;;;+1/t11-,12?,13+;;;/m1.../s1
InChIKey FIVJDLJQTQXGPW-FWDLIEOZSA-N
Mol Weight 372.25 g/mol
Molecular Formula C23H16O2Ti
Exact Mass 372.062971 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EJxDq4p1EcJ
Name 4-(ETA(1)-ACYL)-3-BIS-(CYCLOPENTADIENYL)-2-OXA-8-PHENYL-3-TITANABICYCLO-[4.3.0]-NONANE;MINOR-ISOMER
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H16O2Ti
InChI InChI=1S/C13H14O2.2C5H.Ti/c14-7-6-11-8-12(9-13(11)15)10-4-2-1-3-5-10;2*1-2-4-5-3-1;/h1-5,11-13H,6,8-9H2;2*1H;/q-1;;;+1/t11-,12?,13+;;;/m1.../s1
InChIKey FIVJDLJQTQXGPW-FWDLIEOZSA-N
Literature Reference Author W.E.CROWE,A.T.VU
Literature Reference Citation J.AM.CHEM.SOC.,118,1557(1996)
Literature Reference DOI 10.1021/ja9535874
Molecular Weight 372.259 g/mol
Sample ID 37643
Solvent C6D6