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MAIN-(E)-ISOMER

View entire compound with spectra: 4 NMR

MAIN-(E)-ISOMER
SpectraBase Compound ID CfgXPaNJITP
InChI InChI=1S/C22H4BF15.C13H9Si.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;1-11-8-9-13(10-11)14(2,3)12-6-4-5-7-12;;/h1,4H2;1-3H3;1H3;/q-1;;;+1
InChIKey NNANLYRXFBNRNJ-UHFFFAOYSA-N
Mol Weight 863.6 g/mol
Molecular Formula C36H16BF15SiZr
Exact Mass 861.992178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2lW6h6SvltI
Name SECOND-(E)-ISOMER
Compound Number 18'B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H16BF15SiZr
InChI InChI=1S/C22H4BF15.C13H9Si.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;1-11-8-9-13(10-11)14(2,3)12-6-4-5-7-12;;/h1,4H2;1-3H3;1H3;/q-1;;;+1
InChIKey NNANLYRXFBNRNJ-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 863.615 g/mol
Solvent TOLUENE-D8
Source File Reference UWVN31913