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E-ISOMER

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E-ISOMER
SpectraBase Compound ID Jw90OLSg5LH
InChI InChI=1S/C22H4BF15.C18H17Si.CH3.Zr/c1-2-3-4-23(5-8(24)14(30)20(36)15(31)9(5)25,6-10(26)16(32)21(37)17(33)11(6)27)7-12(28)18(34)22(38)19(35)13(7)29;1-19(2,17-10-6-7-11-17)18-13-12-16(14-18)15-8-4-3-5-9-15;;/h1,4H2;15H,3-5,8-9H2,1-2H3;1H3;/q-1;;;+1
InChIKey NAIGJDHURDQKLF-UHFFFAOYSA-N
Mol Weight 931.7 g/mol
Molecular Formula C41H24BF15SiZr
Exact Mass 930.054779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GoT8OSgzozX
Name (E)-ISOMER
Compound Number 18C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H24BF15SiZr
InChI InChI=1S/C22H4BF15.C18H17Si.CH3.Zr/c1-2-3-4-23(5-8(24)14(30)20(36)15(31)9(5)25,6-10(26)16(32)21(37)17(33)11(6)27)7-12(28)18(34)22(38)19(35)13(7)29;1-19(2,17-10-6-7-11-17)18-13-12-16(14-18)15-8-4-3-5-9-15;;/h1,4H2;15H,3-5,8-9H2,1-2H3;1H3;/q-1;;;+1
InChIKey NAIGJDHURDQKLF-UHFFFAOYSA-N
Literature Reference Author J.W.STRAUCH,J.L.FAURE,S.BREDEAU,C.WANG,G.KEHR,R.FROEHLICH,H. LUFTMANN,G.ERKER
Literature Reference Citation J.AM.CHEM.SOC.,126,2089(2004)
Literature Reference DOI 10.1021/ja035739y
Molecular Weight 931.733 g/mol
Solvent TOLUENE-D8
Source File Reference UWVN31917