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NBQWFZNXQRAFAN-VEPBVPDESA-N

View entire compound with spectra: 1 NMR

NBQWFZNXQRAFAN-VEPBVPDESA-N
SpectraBase Compound ID 6a7pOJ3NVdr
InChI InChI=1S/C24BF20.C6H6Cl.2C6H3.CH3.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;7-6-4-2-1-3-5-6;2*1-6-4-2-3-5-6;;/h;1-5,7H;2*1H3;1H3;/q-1;+1;;;;/i;1D,2D,3D,4D,5D;;;;
InChIKey NBQWFZNXQRAFAN-VEPBVPDESA-N
Mol Weight 1053.1 g/mol
Molecular Formula C43H92H5BClF20Zr
Exact Mass 1050.991854 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 88WM5fKBwLI
Name NBQWFZNXQRAFAN-VEPBVPDESA-N
Compound Number 2C-D5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H92H5BClF20Zr
InChI InChI=1S/C24BF20.C6H6Cl.2C6H3.CH3.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;7-6-4-2-1-3-5-6;2*1-6-4-2-3-5-6;;/h;1-5,7H;2*1H3;1H3;/q-1;+1;;;;/i;1D,2D,3D,4D,5D;;;;
InChIKey NBQWFZNXQRAFAN-VEPBVPDESA-N
Literature Reference Author F.WU,A.K.DASH,R.F.JORDAN
Literature Reference Citation J.AM.CHEM.SOC.,126,15360(2004)
Literature Reference DOI 10.1021/ja044303v
Molecular Weight 1053.066 g/mol
Solvent C6D5Cl
Source File Reference UWLU34930