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GCKDBHASQRHBIF-UHFFFAOYSA-M

View entire compound with spectra: 1 NMR

GCKDBHASQRHBIF-UHFFFAOYSA-M
SpectraBase Compound ID 1QYKDZqbTlE
InChI InChI=1S/C24BF20.C17H21.C10H15.ClH.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;1-11-8-7-9-16(10-11)17(6)14(4)12(2)13(3)15(17)5;1-6-7(2)9(4)10(5)8(6)3;;/h;7-8,10H,1-6H3;1-5H3;1H;/q-1;;;;+2/p-1
InChIKey GCKDBHASQRHBIF-UHFFFAOYSA-M
Mol Weight 1166.3 g/mol
Molecular Formula C51H36BClF20Zr
Exact Mass 1164.132621 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AR4lmqILDdD
Name GCKDBHASQRHBIF-UHFFFAOYSA-M
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H36BClF20Zr
InChI InChI=1S/C24BF20.C17H21.C10H15.ClH.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;1-11-8-7-9-16(10-11)17(6)14(4)12(2)13(3)15(17)5;1-6-7(2)9(4)10(5)8(6)3;;/h;7-8,10H,1-6H3;1-5H3;1H;/q-1;;;;+2/p-1
InChIKey GCKDBHASQRHBIF-UHFFFAOYSA-M
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 1166.298 g/mol
Solvent C6D5Cl
Source File Reference UWLU34940