((5-ETA-C5H5)2ZRC4)-2-C6H4ME-3-C6H4CF3-4-C6F5-5-PH

SpectraBase Compound ID	LdPGsnCjcbz
InChI	InChI=1S/C30H16F8.2C5H.Zr/c1-17-7-9-19(10-8-17)15-22(20-11-13-21(14-12-20)30(36,37)38)23(16-18-5-3-2-4-6-18)24-25(31)27(33)29(35)28(34)26(24)32;21-2-4-5-3-1;/h2-14H,1H3;21H;
InChIKey	SSMXERBIUKCWSH-UHFFFAOYSA-N Google Search
Mol Weight	741.8 g/mol
Molecular Formula	C40H18F8Zr
Exact Mass	740.032775 g/mol

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SpectraBase Spectrum ID	398cZUniKWF
Name	((5-ETA-C5H5)2ZRC4)-2-C6H4ME-3-C6H4CF3-4-C6F5-5-PH
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C40H18F8Zr
InChI	InChI=1S/C30H16F8.2C5H.Zr/c1-17-7-9-19(10-8-17)15-22(20-11-13-21(14-12-20)30(36,37)38)23(16-18-5-3-2-4-6-18)24-25(31)27(33)29(35)28(34)26(24)32;21-2-4-5-3-1;/h2-14H,1H3;21H;
InChIKey	SSMXERBIUKCWSH-UHFFFAOYSA-N
Literature Reference Author	S.A.JONSON,F.Q.LIU,M.C.SUH,S.ZUERCHER,M.HAUFE,S.S.H.MAO,T.D. TILLEY
Literature Reference Citation	J.AM.CHEM.SOC.,125,4199(2003)
Literature Reference DOI	10.1021/ja0209161
Solvent	C6D6
Source File Reference	UWLU40864