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(5-ETA-C10H15)(CO)2RE-[2-ETA-(3,5-CF3)C6H3C(O)C-CPH)]

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(5-ETA-C10H15)(CO)2RE-[2-ETA-(3,5-CF3)C6H3C(O)C-CPH)]
SpectraBase Compound ID 1R5GCCiTU7D
InChI InChI=1S/C17H8F6O.C10H15.2CO.Re/c18-16(19,20)13-8-12(9-14(10-13)17(21,22)23)15(24)7-6-11-4-2-1-3-5-11;1-6-7(2)9(4)10(5)8(6)3;2*1-2;/h1-5,8-10H;1-5H3;;;
InChIKey KVJRVHFDMRPCLM-UHFFFAOYSA-N
Mol Weight 719.7 g/mol
Molecular Formula C29H23F6O3Re
Exact Mass 720.110891 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DGAuNwF1P1R
Name (5-ETA-C10H15)(CO)2RE-[2-ETA-(3,5-CF3)C6H3C(O)C-CPH)]
Compound Number 39
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H23F6O3Re
InChI InChI=1S/C17H8F6O.C10H15.2CO.Re/c18-16(19,20)13-8-12(9-14(10-13)17(21,22)23)15(24)7-6-11-4-2-1-3-5-11;1-6-7(2)9(4)10(5)8(6)3;2*1-2;/h1-5,8-10H;1-5H3;;;
InChIKey KVJRVHFDMRPCLM-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 719.697 g/mol
Sample ID 48416
Solvent CD2Cl2