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[(C5H4-ME-ETA-5)2-ZR-(O-TERT.-BU)-(HC-CPH)]-[B(C6F5)4]

View entire compound with spectra: 1 NMR

[(C5H4-ME-ETA-5)2-ZR-(O-TERT.-BU)-(HC-CPH)]-[B(C6F5)4]
SpectraBase Compound ID GRmrxRQbHuC
InChI InChI=1S/C24BF20.C8H5.2C6H3.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;1-2-8-6-4-3-5-7-8;2*1-6-4-2-3-5-6;1-4(2,3)5;/h;3-7H;2*1H3;1-3H3;/q-1;;;;-1;+2
InChIKey HDCWVHNHCDUXPU-UHFFFAOYSA-N
Mol Weight 1094.69 g/mol
Molecular Formula C48H20BF20OZr
Exact Mass 1093.033482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KmK2lL3NqR
Name [(C5H4-ME-ETA-5)2-ZR-(O-TERT.-BU)-(HC-CPH)]-[B(C6F5)4]
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H20BF20OZr
InChI InChI=1S/C24BF20.C8H5.2C6H3.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;1-2-8-6-4-3-5-7-8;2*1-6-4-2-3-5-6;1-4(2,3)5;/h;3-7H;2*1H3;1-3H3;/q-1;;;;-1;+2
InChIKey HDCWVHNHCDUXPU-UHFFFAOYSA-N
Literature Reference Author E.J.STOEBENAU,R.F.JORDAN
Literature Reference Citation J.AM.CHEM.SOC.,125,3222(2003)
Literature Reference DOI 10.1021/ja029963j
Molecular Weight 1094.684 g/mol
Sample ID 40772
Solvent CD2Cl2