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

View entire compound with spectra: 5 NMR

[CP2ZR-(C6F5)]-[B-[(C6F5)-(4)]]
SpectraBase Compound ID 5O1cO7mBXRv
InChI InChI=1S/C24BF20.C6F5.2C5H.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;2*1-2-4-5-3-1;/h;;2*1H;/q-1;;;;+1
InChIKey DWWJMHOQEYTSMQ-UHFFFAOYSA-N
Mol Weight 1059.45 g/mol
Molecular Formula C40H2BF25Zr
Exact Mass 1057.889733 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E9nUvEHVH9E
Name [CP2ZR-(C6F5)]-[B-[(C6F5)-(4)]]
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H2BF25Zr
InChI InChI=1S/C24BF20.C6F5.2C5H.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;2*1-2-4-5-3-1;/h;;2*1H;/q-1;;;;+1
InChIKey DWWJMHOQEYTSMQ-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
Molecular Weight 1059.446 g/mol
Solvent C6D5Cl
Source File Reference UWVN31551