![[CP'2ZR-(O-TBU)-(H2C=CHCH2SIME3)]-[B-[C6F5-(4)]]](/api/spectrum/2HeBzLVLNRm/structure.png?h=300&w=458 "[CP'2ZR-(O-TBU)-(H2C=CHCH2SIME3)]-[B-[C6F5-(4)]]")
| SpectraBase Compound ID | EFwssVHgytF |
|---|---|
| InChI | InChI=1S/C24BF20.C6H13Si.C6H7.C6H6.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;2-5H,1H3;2,4-5H,1H3;1-3H3;/q-1;;;;-1;+2 |
| InChIKey | OGFMWRDZYNARGO-UHFFFAOYSA-N |
| Mol Weight | 1113.9 g/mol |
| Molecular Formula | C46H35BF20OSiZr |
| Exact Mass | 1112.127785 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2HeBzLVLNRm |
|---|---|
| Name | [CP'2ZR-(O-TBU)-(H2C=CHCH2SIME3)]-[B-[C6F5-(4)]] |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H35BF20OSiZr |
| InChI | InChI=1S/C24BF20.C6H13Si.C6H7.C6H6.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;2-5H,1H3;2,4-5H,1H3;1-3H3;/q-1;;;;-1;+2 |
| InChIKey | OGFMWRDZYNARGO-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 | UWVN31541 |