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[CP'2ZR-(O-TBU)-(H2C=CHCH2SIME3)]-[B-[C6F5-(4)]]

View entire compound with spectra: 2 NMR

[CP'2ZR-(O-TBU)-(H2C=CHCH2SIME3)]-[B-[C6F5-(4)]]
SpectraBase Compound ID Ccotid9yn48
InChI InChI=1S/C24BF20.C7H13.2C6H6.C4H9O.Zr/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;1-5-6-7(2,3)4;2*1-6-4-2-3-5-6;1-4(2,3)5;/h;1,5H,6H2,2-4H3;2*2,4-5H,1H3;1-3H3;/q-1;;;;-1;+2
InChIKey PSFJPNIVVZFDGY-UHFFFAOYSA-N
Mol Weight 1096.8 g/mol
Molecular Formula C47H34BF20OZr
Exact Mass 1095.143033 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2SIF236glnq
Name [CP'2ZR-(O-TBU)-(H2C=CHCH2SIME3)]-[B-[C6F5-(4)]]
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H34BF20OZr
InChI InChI=1S/C24BF20.C7H13.2C6H6.C4H9O.Zr/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;1-5-6-7(2,3)4;2*1-6-4-2-3-5-6;1-4(2,3)5;/h;1,5H,6H2,2-4H3;2*2,4-5H,1H3;1-3H3;/q-1;;;;-1;+2
InChIKey PSFJPNIVVZFDGY-UHFFFAOYSA-N
Literature Reference Author E.J.STOEBENAU,R.F.JORDAN
Literature Reference Citation J.AM.CHEM.SOC.,126,11170(2004)
Literature Reference DOI 10.1021/ja045794m
Solvent CD2Cl2
Source File Reference UWVN31545