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4-(ETA(1)-ACYL)-3-BIS-(CYCLOPENTADIENYL)-2-OXA-3-TITANABICYCLO-[4.3.0]-NONANE

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4-(ETA(1)-ACYL)-3-BIS-(CYCLOPENTADIENYL)-2-OXA-3-TITANABICYCLO-[4.3.0]-NONANE
SpectraBase Compound ID 2N3QgpaS8TT
InChI InChI=1S/C7H10O2.2C5H.Ti/c8-5-4-6-2-1-3-7(6)9;2*1-2-4-5-3-1;/h6-7H,1-4H2;2*1H;/q-1;;;+1/t6-,7-;;;/m0.../s1
InChIKey WEZSGYVKXAJAGW-UEEQWHBPSA-N
Mol Weight 296.15 g/mol
Molecular Formula C17H12O2Ti
Exact Mass 296.031671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C8qweek98vE
Name 4-(ETA(1)-ACYL)-3-BIS-(CYCLOPENTADIENYL)-2-OXA-3-TITANABICYCLO-[4.3.0]-NONANE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H12O2Ti
InChI InChI=1S/C7H10O2.2C5H.Ti/c8-5-4-6-2-1-3-7(6)9;2*1-2-4-5-3-1;/h6-7H,1-4H2;2*1H;/q-1;;;+1/t6-,7-;;;/m0.../s1
InChIKey WEZSGYVKXAJAGW-UEEQWHBPSA-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 296.161 g/mol
Sample ID 37637
Solvent CDCl3