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[(5-ETA-C10H15)(P(OME)3IR(ME)CD2CL2]-[B(3,5-C6H3(CF3)2)4]
SpectraBase Compound ID Jp749Ezqp0z
InChI InChI=1S/C32H12BF24.C10H15.C3H10O3P.CH3Cl2.CH3.Ir/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;1-6-7(2)9(4)10(5)8(6)3;1-4-7(5-2)6-3;2-1-3;;/h1-12H;1-5H3;7H,1-3H3;2H,1H2;1H3;/q-1;;2*+1;;-1/i;;;1D2;;
InChIKey HSIYYHRYBLZZDV-QBAMQYMWSA-N
Mol Weight 1417.7 g/mol
Molecular Formula C47H402H2BCl2F24IrO3P
Exact Mass 1417.171321 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ITh7Bxf8v1i
Name [(5-ETA-C10H15)(P(OME)3IR(ME)CD2CL2]-[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 C47H392H2BCl2F24IrO3P
InChI InChI=1S/C32H12BF24.C10H15.C3H10O3P.CH3Cl2.CH3.Ir/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;1-6-7(2)9(4)10(5)8(6)3;1-4-7(5-2)6-3;2-1-3;;/h1-12H;1-5H3;7H,1-3H3;2H,1H2;1H3;/q-1;;2*+1;;-1/i;;;1D2;;
InChIKey HSIYYHRYBLZZDV-QBAMQYMWSA-N
Literature Reference Author D.M.TELLERS,C.M.YUNG,B.A.ARNDTSEN,D.R.ADAMSON,R.G.BERGMAN
Literature Reference Citation J.AM.CHEM.SOC.,124,1400(2002)
Literature Reference DOI 10.1021/ja011809u
Solvent CD2Cl2
Source File Reference UWLU47644