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[(ETA-C10H15)-(PME3)-IR-(CO)-(CF3)]-[B(C6F5)4]

View entire compound with spectra: 3 NMR

[(ETA-C10H15)-(PME3)-IR-(CO)-(CF3)]-[B(C6F5)4]
SpectraBase Compound ID 8ulSapPA6IG
InChI InChI=1S/C24BF20.C10H15.C3H9P.CF3.CO.Ir/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-6-7(2)9(4)10(5)8(6)3;1-4(2)3;2-1(3)4;1-2;/h;1-5H3;1-3H3;;;/q-1;;;;;/p+1
InChIKey RASPRIJNUNEJCB-UHFFFAOYSA-O
Mol Weight 1180.59 g/mol
Molecular Formula C39H25BF23IrOP
Exact Mass 1181.099804 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HXHJ1xEGCRu
Name [(ETA-C10H15)-(PME3)-IR-(CO)-(CF3)]-[B(C6F5)4]
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H24BF23IrOP
InChI InChI=1S/C24BF20.C10H15.C3H9P.CF3.CO.Ir/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-6-7(2)9(4)10(5)8(6)3;1-4(2)3;2-1(3)4;1-2;/h;1-5H3;1-3H3;;;/q-1;;;;;/p+1
InChIKey RASPRIJNUNEJCB-UHFFFAOYSA-O
Literature Reference Author J.G.CORDARO,R.G.BERGMAN
Literature Reference Citation J.AM.CHEM.SOC.,126,16912(2004)
Literature Reference DOI 10.1021/ja045859l
Molecular Weight 1179.586 g/mol
Solvent CD2Cl2
Source File Reference UWLU35219