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XZFIWTPNODIMHL-UHFFFAOYSA-N
SpectraBase Compound ID J6ZUJy6t5yK
InChI InChI=1S/C22H3BF15.C17H10.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;1-17(2,14-8-4-5-9-14)16-12-11-13-7-3-6-10-15(13)16;/h4H,1H2;3,6-7,10H,1-2H3;/q-1;;+1
InChIKey XZFIWTPNODIMHL-UHFFFAOYSA-N
Mol Weight 868.5 g/mol
Molecular Formula C39H13BF15Zr
Exact Mass 866.991777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1vKWJ24gDtr
Name XZFIWTPNODIMHL-UHFFFAOYSA-N
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H13BF15Zr
InChI InChI=1S/C22H3BF15.C17H10.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;1-17(2,14-8-4-5-9-14)16-12-11-13-7-3-6-10-15(13)16;/h4H,1H2;3,6-7,10H,1-2H3;/q-1;;+1
InChIKey XZFIWTPNODIMHL-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 868.538 g/mol
Solvent TOLUENE-D8
Source File Reference UWVN31910