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[MO2-(ETA(5)-C5H5)(2)-(MIU-P)-(ETA(6)-C6H3-T-BU3)-(CO)(2)]-[B-(3,5-C6H3-(CF3)2)(4)]
SpectraBase Compound ID Ai0dvlzH1db
InChI InChI=1S/C32H12BF24.C18H27.2C5H.2CO.2Mo.P/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9;2*1-2-4-5-3-1;2*1-2;;;/h1-12H;1-9H3;2*1H;;;;;/q-1;;;;;;;;+1
InChIKey HKQFKYGYOPXDTG-UHFFFAOYSA-N
Mol Weight 1507.66 g/mol
Molecular Formula C62H41BF24Mo2O2P
Exact Mass 1511.066207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID jTQgsRTC2P
Name [MO2-(ETA(5)-C5H5)(2)-(MIU-P)-(ETA(6)-C6H3-T-BU3)-(CO)(2)]-[B-(3,5-C6H3-(CF3)2)(4)]
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H41BF24Mo2O2P
InChI InChI=1S/C32H12BF24.C18H27.2C5H.2CO.2Mo.P/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9;2*1-2-4-5-3-1;2*1-2;;;/h1-12H;1-9H3;2*1H;;;;;/q-1;;;;;;;;+1
InChIKey HKQFKYGYOPXDTG-UHFFFAOYSA-N
Literature Reference Author M.E.GARCIA,V.RIERA,M.A.RUIZ,D.SAEZ,H.HAMIDOV,J.C.JEFFERY,T.R IIS-JOHANNESSEN
Literature Reference Citation J.AM.CHEM.SOC.,125,13044(2003)
Literature Reference DOI 10.1021/ja037293r
Molecular Weight 1507.632 g/mol
Sample ID 35225
Solvent CD2Cl2