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(5-ETA-C10H15)(CO)2RE-[2-ETA-PHC(O)C-CC6H4(PARA-CF3)]
SpectraBase Compound ID BlntgpROvaU
InChI InChI=1S/C16H9F3O.C10H15.2CO.Re/c17-16(18,19)14-9-6-12(7-10-14)8-11-15(20)13-4-2-1-3-5-13;1-6-7(2)9(4)10(5)8(6)3;2*1-2;/h1-7,9-10H;1-5H3;;;
InChIKey IBNAUTXAWBYHCR-UHFFFAOYSA-N
Mol Weight 651.7 g/mol
Molecular Formula C28H24F3O3Re
Exact Mass 652.123506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FgReQNmixOl
Name (5-ETA-C10H15)(CO)2RE-[2-ETA-PHC(O)C-CC6H4(PARA-CF3)]
Compound Number 36
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H24F3O3Re
InChI InChI=1S/C16H9F3O.C10H15.2CO.Re/c17-16(18,19)14-9-6-12(7-10-14)8-11-15(20)13-4-2-1-3-5-13;1-6-7(2)9(4)10(5)8(6)3;2*1-2;/h1-7,9-10H;1-5H3;;;
InChIKey IBNAUTXAWBYHCR-UHFFFAOYSA-N
Literature Reference Author C.P.CASEY,T.M.BOLLER,S.KRAFT,I.A.GUZEI
Literature Reference Citation J.AM.CHEM.SOC.,124,13215(2002)
Literature Reference DOI 10.1021/ja020439m
Molecular Weight 651.699 g/mol
Sample ID 48407
Solvent CD2Cl2