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RWCVLVDCZMXASR-XISYSUQGSA-N

View entire compound with spectra: 1 NMR

RWCVLVDCZMXASR-XISYSUQGSA-N
SpectraBase Compound ID H5aQMJKOOL1
InChI InChI=1S/C24BF20.C7H8Cl.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;8-6-7-4-2-1-3-5-7;2*1-2-4-5-3-1;/h;1-5,8H,6H2;2*1H;/q-1;+1;;;/i;1D,2D,3D,4D,5D;;;
InChIKey RWCVLVDCZMXASR-XISYSUQGSA-N
Mol Weight 1024.01 g/mol
Molecular Formula C41H42H5BClF20Zr
Exact Mass 1021.952729 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GPqnjEMK9vr
Name RWCVLVDCZMXASR-XISYSUQGSA-N
Compound Number 1-D5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H42H5BClF20Zr
InChI InChI=1S/C24BF20.C7H8Cl.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;8-6-7-4-2-1-3-5-7;2*1-2-4-5-3-1;/h;1-5,8H,6H2;2*1H;/q-1;+1;;;/i;1D,2D,3D,4D,5D;;;
InChIKey RWCVLVDCZMXASR-XISYSUQGSA-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 1024.004 g/mol
Solvent C6D5Cl
Source File Reference UWLU34928