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4-(ETA(1)-ACYL)-3-BIS-(CYCLOPENTADIENYL)-9-METHYL-2-OXA-3-TITANABICYCLO-[4.3.0]-NONANE;MAJOR-ISOMER

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4-(ETA(1)-ACYL)-3-BIS-(CYCLOPENTADIENYL)-9-METHYL-2-OXA-3-TITANABICYCLO-[4.3.0]-NONANE;MAJOR-ISOMER
SpectraBase Compound ID 4wERGZsLLHr
InChI InChI=1S/C8H12O2.2C5H.Ti/c1-6-2-3-7(4-5-9)8(6)10;2*1-2-4-5-3-1;/h6-8H,2-4H2,1H3;2*1H;/q-1;;;+1/t6-,7+,8+;;;/m1.../s1
InChIKey PHFABSSRXSVDDD-SFSJRTPXSA-N
Mol Weight 310.18 g/mol
Molecular Formula C18H14O2Ti
Exact Mass 310.047321 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EhbLZgmnT44
Name 4-(ETA(1)-ACYL)-3-BIS-(CYCLOPENTADIENYL)-9-METHYL-2-OXA-3-TITANABICYCLO-[4.3.0]-NONANE;MAJOR-ISOMER
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14O2Ti
InChI InChI=1S/C8H12O2.2C5H.Ti/c1-6-2-3-7(4-5-9)8(6)10;2*1-2-4-5-3-1;/h6-8H,2-4H2,1H3;2*1H;/q-1;;;+1/t6-,7+,8+;;;/m1.../s1
InChIKey PHFABSSRXSVDDD-SFSJRTPXSA-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 310.188 g/mol
Sample ID 37645
Solvent C6D6