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JJKSLGYTOMAVAC-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

JJKSLGYTOMAVAC-UHFFFAOYSA-N
SpectraBase Compound ID IIGAYCXCj04
InChI InChI=1S/C24BF20.2C10H15.C7H7Cl.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;2*1-6-7(2)9(4)10(5)8(6)3;1-6-2-4-7(8)5-3-6;/h;2*1-5H3;2-4,8H,1H3;/q-1;;;+1;
InChIKey JJKSLGYTOMAVAC-UHFFFAOYSA-N
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 FK4gOV4mwPH
Name JJKSLGYTOMAVAC-UHFFFAOYSA-N
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H36BClF20Zr
InChI InChI=1S/C24BF20.2C10H15.C7H7Cl.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;2*1-6-7(2)9(4)10(5)8(6)3;1-6-2-4-7(8)5-3-6;/h;2*1-5H3;2-4,8H,1H3;/q-1;;;+1;
InChIKey JJKSLGYTOMAVAC-UHFFFAOYSA-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 1166.298 g/mol
Solvent C6D5Cl
Source File Reference UWLU34939