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Z-ISOMER

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Z-ISOMER
SpectraBase Compound ID X1kms4OIah
InChI InChI=1S/C22H3BF15.C16H15Si.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;1-16(2,3)13-10-11-15(12-13)17(4,5)14-8-6-7-9-14;;/h4H,1H2;1-5H3;1H3;/q-1;;;+1
InChIKey LNBIZAMGNTUTNR-UHFFFAOYSA-N
Mol Weight 904.7 g/mol
Molecular Formula C39H21BF15SiZr
Exact Mass 903.031304 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gy6vU9zjbGh
Name (Z)-ISOMER
Compound Number 18E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H21BF15SiZr
InChI InChI=1S/C22H3BF15.C16H15Si.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;1-16(2,3)13-10-11-15(12-13)17(4,5)14-8-6-7-9-14;;/h4H,1H2;1-5H3;1H3;/q-1;;;+1
InChIKey LNBIZAMGNTUTNR-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 904.687 g/mol
Solvent TOLUENE-D8
Source File Reference UWVN31920