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[CP2ZR-(C6F5)-(HCCCH2SIME3)]-[B-[C6F5-(4)]]

View entire compound with spectra: 2 NMR

[CP2ZR-(C6F5)-(HCCCH2SIME3)]-[B-[C6F5-(4)]]
SpectraBase Compound ID EcXYoKB6gyO
InChI InChI=1S/C24BF20.C6F5.C6H12Si.2C5H.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;7-2-1-3(8)5(10)6(11)4(2)9;1-5-6-7(2,3)4;2*1-2-4-5-3-1;/h;;1H,6H2,2-4H3;2*1H;/q-1;;;;;+1
InChIKey OOZHEIZNQKFXCH-UHFFFAOYSA-N
Mol Weight 1171.7 g/mol
Molecular Formula C46H14BF25SiZr
Exact Mass 1169.96056 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2gvp9aYh9UE
Name [CP2ZR-(C6F5)-(HCCCH2SIME3)]-[B-[C6F5-(4)]]
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H14BF25SiZr
InChI InChI=1S/C24BF20.C6F5.C6H12Si.2C5H.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;7-2-1-3(8)5(10)6(11)4(2)9;1-5-6-7(2,3)4;2*1-2-4-5-3-1;/h;;1H,6H2,2-4H3;2*1H;/q-1;;;;;+1
InChIKey OOZHEIZNQKFXCH-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 C6D5Cl
Source File Reference UWVN31547