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[(5-ETA-C10H15)(CO)2RE-[3-ETA-PHCHC-CC6H4(PARA-CF3)]]-[BF4]

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[(5-ETA-C10H15)(CO)2RE-[3-ETA-PHCHC-CC6H4(PARA-CF3)]]-[BF4]
SpectraBase Compound ID JorusMsyMQN
InChI InChI=1S/2C16H10F3.2C10H15.4CO.2BF4.2Re/c2*17-16(18,19)15-11-9-14(10-12-15)8-4-7-13-5-2-1-3-6-13;2*1-6-7(2)9(4)10(5)8(6)3;4*1-2;2*2-1(3,4)5;;/h2*1-3,5-7,9-12H;2*1-5H3;;;;;;;;/q;;;;;;;;2*-1;2*+1
InChIKey TXSHLFRNQVZYPC-UHFFFAOYSA-N
Mol Weight 1447.0 g/mol
Molecular Formula C56H50B2F14O4Re2
Exact Mass 1448.278669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4yIWRq8bzJh
Name [(5-ETA-C10H15)(CO)2RE-[3-ETA-PHCHC-CC6H4(PARA-CF3)]]-[BF4]
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H50B2F14O4Re2
InChI InChI=1S/2C16H10F3.2C10H15.4CO.2BF4.2Re/c2*17-16(18,19)15-11-9-14(10-12-15)8-4-7-13-5-2-1-3-6-13;2*1-6-7(2)9(4)10(5)8(6)3;4*1-2;2*2-1(3,4)5;;/h2*1-3,5-7,9-12H;2*1-5H3;;;;;;;;/q;;;;;;;;2*-1;2*+1
InChIKey TXSHLFRNQVZYPC-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 1447.022 g/mol
Sample ID 48408
Solvent CD2Cl2