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3-BIS-(CYCLOPENTADIENYL)-6-METHYL-2-OXA-3-TITANABICYCLO-[3.3.0]-OCTANE;MAJOR-ISOMER
SpectraBase Compound ID 5U7iOOtGNYV
InChI InChI=1S/C7H12O.2C5H.Ti/c1-5-3-4-7(8)6(5)2;2*1-2-4-5-3-1;/h5-7H,2-4H2,1H3;2*1H;/q-1;;;+1/t5?,6-,7+;;;/m0.../s1
InChIKey ZBYRKSJSZUSQDX-NXDGDRNZSA-N
Mol Weight 282.17 g/mol
Molecular Formula C17H14OTi
Exact Mass 282.052406 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IkmOG8xxrwy
Name 3-BIS-(CYCLOPENTADIENYL)-6-METHYL-2-OXA-3-TITANABICYCLO-[3.3.0]-OCTANE;MINOR-ISOMER
Compound Number 2G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14OTi
InChI InChI=1S/C7H12O.2C5H.Ti/c1-5-3-4-7(8)6(5)2;2*1-2-4-5-3-1;/h5-7H,2-4H2,1H3;2*1H;/q-1;;;+1/t5?,6-,7+;;;/m0.../s1
InChIKey ZBYRKSJSZUSQDX-NXDGDRNZSA-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 282.178 g/mol
Sample ID 37635
Solvent C6D6