John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9kHSSqP57nI SpectraBase Spectrum ID=118lrT1jEv6

(accessed ).
[MO2-(ETA(5)-C5H5)(2)-(H)-(MIU-KAPPA(1):KAPPA(1),ETA(6)-P-(2,4,6-C6H2-T-BU3))-(CO)(2)]-[B-(3,5-C6H3-(CF3)2)(4)]
SpectraBase Compound ID 9kHSSqP57nI
InChI InChI=1S/C32H12BF24.C18H27P.2C5H.2CO.2Mo.H/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)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;2*1-2-4-5-3-1;2*1-2;;;/h1-12H;1-9H3;2*1H;;;;;/q-1;+1;;;;;;;
InChIKey ABPFFTXBYNJHLX-UHFFFAOYSA-N
Mol Weight 1508.66 g/mol
Molecular Formula C62H42BF24Mo2O2P
Exact Mass 1512.074038 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 118lrT1jEv6
Name [MO2-(ETA(5)-C5H5)(2)-(H)-(MIU-KAPPA(1):KAPPA(1),ETA(6)-P-(2,4,6-C6H2-T-BU3))-(CO)(2)]-[B-(3,5-C6H3-(CF3)2)(4)]
Compound Number 5-TRANS
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H42BF24Mo2O2P
InChI InChI=1S/C32H12BF24.C18H27P.2C5H.2CO.2Mo.H/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)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;2*1-2-4-5-3-1;2*1-2;;;/h1-12H;1-9H3;2*1H;;;;;/q-1;+1;;;;;;;
InChIKey ABPFFTXBYNJHLX-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
Solvent CD2Cl2
Source File Reference UWSI35227
SpectraBase Batch ID LUo7pC7Qol0